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1.
Bhamidi V Varanasi S Schall CA 《Langmuir : the ACS journal of surfaces and colloids》2005,21(20):9044-9050
Fundamental understanding of protein crystal nucleation facilitates crystallization of biological macromolecules for structure determination and control of crystal size distribution. In the studies presented here, nucleation kinetics of hen egg-white lysozyme crystals were measured at solution conditions that exhibited equal solubility by adjusting pH, temperature, or sodium chloride concentration. It was observed that solution conditions that lead to equal solubility resulted in equal nucleation rates and hence kinetic parameters. Since the solubility of globular proteins correlates with the osmotic second virial coefficient, B(22), an integral measure of the protein pair interaction potential, this observation indicates that the protein pair interaction plays a key role in determining nucleation kinetic parameters. 相似文献
2.
Chiral discrimination of alpha-amino acids by the DNA triplet GCA using amino acids as a co-selector
Kumar MR Prabhakar S Sivaleela T Vairamani M 《Journal of mass spectrometry : JMS》2007,42(9):1218-1224
The DNA triplet GCA is successfully used as a chiral selector for the chiral discrimination of amino acids using amino acids themselves as a co-selector. Chiral discrimination was achieved by investigating the collision-induced dissociation spectra of the [X(A) + X(R) + 2Y - 2H](2-) ion generated by electrospraying a mixture of analyte amino acid (X(A)), reference amino acid (X(R)) and GCA (Y). The relative abundances of fragment ions resulting from the competitive loss of reference and X(A)'s are considered for measuring the degree of chiral discrimination. GCA successfully shows D-selectivity for all the amino acids, except Tyr and Lys. The success of the method lies in the selection of a suitable 10(R) that has closer GCA binding affinity to that of analyte. The degree of discrimination by GCA is improved in the presence of the reference, and the chirality of the reference does not change the selectivity of GCA. The suitability of the method for the measurement of optical purity is also demonstrated. 相似文献
3.
R. Furtwängler A.-C. Hauschild J. Hübel H. Rakicioglou B. Bödeker S. Maddula A. Simon J. I. Baumbach 《International Journal for Ion Mobility Spectrometry》2014,17(1):19-23
Children undergoing systemic chemotherapy often suffer from severe immunosuppression usually associated to severe neutropenia (neutrophils <?0.5 x 109/l). Clinical courses during those periods range from asymptomatic to septic general conditions. Development of septic symptoms can be very fast and life-threatening. Swift detection of risk factors in those patients is therefore needed. So far no early, rapid and reliable marker or tool exists. Ion-Mobility-Spectrometry coupled with a Multi-Capillary-Column (IMS-MCC) can analyze more than 600 volatile components from exhaled air within a few minutes and hence is a potential, rapid detection-tool. As a proof of concept we measured the exhaled breath of 11 patients with neutropenia and 10 healthy controls ranging from 3 to 18 years of age at the time of measurement. Ten milliliters breath samples were taken at the outpatient clinic and analyzed with an onsite IMS-MCC (BreathDiscovery, B&S Analytik, Dortmund, Germany). Dead-space-volume was adapted to two groups (small 250 ml, large 500 ml). Interestingly 59 differing peaks were measured. Eleven were significantly different (p?≤?0.05), three of which highly significant (p?≤?0.01) in Mann-Whitney-Rank-Sum-testing. The corresponding analytes used in the decision tree are 2-Propanol, D-Limonene and Acetone. The analytes with the lowest rank sum identified are 2-Hexanone, Iso-Propylamine and 1-Butanol. Eventually we were able to show a three-step-decision-tree, which discerns the 21 samples except one from each group. Sensitivity was 90 % and specificity was 91 %. Naturally these findings need further confirmation within a bigger population. Our pilot-study proves that Ion-Mobility-Spectrometry coupled with a Multi-Capillary-Column is a feasible rapid diagnostic tool in the setting of a pediatric oncology out-patient clinic for patients 3 years and older. Our first results furthermore encourage additional analysis as to whether patients at risk for septic events during immunosuppression can be diagnosed in advance by rapidly assessing risk factors such as Neutropenia in exhaled breath. 相似文献
4.
K. Manjunatha Tuhin S. Koley Vishal Kandathil Ramesh B. Dateer Geetha Balakrishna B. S. Sasidhar Shivaputra A. Patil Siddappa A. Patil 《应用有机金属化学》2018,32(4)
As a continuation of our efforts to develop new heterogeneous nanomagnetic catalysts for greener reactions, we identified a Schiff base–palladium(II) complex anchored on magnetic nanoparticles (SB‐Pd@MNPs) as a highly active nanomagnetic catalyst for Suzuki–Miyaura cross‐coupling reactions between phenylboronic acid and aryl halides and for the reduction of nitroarenes using sodium borohydride in an aqueous medium at room temperature. The SB‐Pd@MNPs nanomagnetic catalyst shows notable advantages such as simplicity of operation, excellent yields, short reaction times, heterogeneous nature, easy magnetic work up and recyclability. Characterization of the synthesized SB‐Pd@MNPs nanomagnetic catalyst was performed with various physicochemical methods such as attenuated total reflectance infrared spectroscopy, UV–visible spectroscopy, inductively coupled plasma atomic emission spectroscopy, energy‐dispersive X‐ray spectroscopy, field‐emission scanning electron microscopy, transmission electron microscopy, powder X‐ray powder diffraction, thermogravimetric analysis and Brunauer–Emmett–Teller surface area analysis. 相似文献
5.
Pei Li Qichao Zhao Jared L. Anderson Sasidhar Varanasi Maria R. Coleman 《Journal of polymer science. Part A, Polymer chemistry》2010,48(18):4036-4046
Block copolyimides based on aromatic dianhydrides and diamines copolymerized with diamino room temperature ionic liquid (RTIL) monomers were synthesized over a range of compositions. Specifically, two diamino RTILs, 1,3‐di(3‐aminopropyl) imidazolium bis[(trifluoromethyl)sulfonyl] imide ([DAPIM] [NTf2]) and 1,12‐di[3‐(3‐aminopropyl) imidazolium] dodecane bis[(trifluoromethyl) sulfonyl] imide ([C12 (DAPIM)2] [NTf2]2) were synthesized using a Boc protection method. The two RTILs were reacted with 2,2‐bis(3,4‐carboxylphenyl) hexafluoropropane dianhydride (6FDA) to produce 6FDA‐RTILs oligomers that formed the RTIL component for the block copolyimides. The oligomers were reacted with 6FDA and m‐phenylenediamine (MDA) at oligomer concentration from 6.5 to 25.8 mol % to form block copolyimides. Increasing the concentration of the 6FDA‐RTIL oligomer in the block copolyimides resulted in a decrease in the thermal degradation temperature, glass transition temperature and an increase in the density. The gas permeability of the RTIL based block copolyimide decreased but the ideal permeability selectivity for CO2/CH4 gas pair increased relative to the pure 6FDA‐MDA. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 4036–4046, 2010 相似文献
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7.
Sasidhar Chavali Philip M. Birch Rupert Young Chris Chatwin 《Optics and Lasers in Engineering》2007,45(3):413
Achieving phase only modulation from a spatial light modulator (SLM) is useful for many optical processing tasks. In this paper, we demonstrate a simple method of decoupling phase and amplitude modulation in a twisted nematic liquid crystal (TNLC) SLM using a double pass technique. A Jones calculus model is developed which matches our experimental data. 相似文献
8.
Rupam Sarma Pradip Chowdhury Chaitanya Bikkina Sasidhar Gumma Jubaraj B. Baruah 《Journal of chemical crystallography》2010,40(10):892-896
Abstract
The structural aspects of one-dimensional coordination polymer (1) of nickel(II) with 1,3,5-benzene tricarboxylate and a three-dimensional interpenetrating coordination polymer (2) of zinc(II) with 1,4-benzenedicarboxylate ligand are studied by single crystal X-ray diffraction analysis. Coordination polymer (1) forms a hydrogen bonded three dimensional network structures. The coordination polymer 1 having a composition [Ni3(TMA)2(H2O)12] n where (TMA = trimesate anion), crystallizes in monoclinic crystal system with C2 space group and has a/?, 17.3387(4); b/?, 12.8748(4); c/?, 6.5302(2); β/°111.620(2); V/?3, 1355.20(7). The zinc coordination polymer 2 crystal system is orthorhombic, with space group Pbca. It has a/?, 14.5049(3); b/?, 17.1616(3); c/?, 18.1389(4); V/?3, 4515.27(16). The 1,4-benzenedicarboxylate three dimensional coordination polymer of zinc(II) comprises of novel hydroxo bridged tetranuclear zinc(II) secondary building units and has a composition [Zn2(C6H4C2O4)1.5{(CH3)2SO}2(OH)] n . Topological analysis of the three dimensional coordination polymer 2 shows that it has a two fold interpenetrating net topology. 相似文献9.
M. Westhoff P. Litterst S. Maddula B. Bödeker J. I. Baumbach 《International Journal for Ion Mobility Spectrometry》2011,14(4):139-149
Human breath analysis is a powerful and especially a non-invasive technique for the monitoring and hopefully also for the
diagnosis of respiratory diseases, including chronic obstructive pulmonary disease (COPD). The exhaled breath of 95 patients
suffering COPD and of 35 healthy controls was investigated using an Ion Mobility Spectrometer (IMS) coupled to a Multi-Capillary
Column (MCC) without any pre-separation or pre-enrichment. Starting with the results from a Mann–Whitney-Wilcoxon rank sum
test to find analytes with the highest potential with respect to differentiation, box and whisker plots, metabolic maps and
probability charts were introduced and compared. In addition, the sensitivity, specificity, positive and negative predictive
values and the accuracy of the relation were also summarized. The findings were compared to the results of a principal component
analysis. Finally, decision trees were introduced to visualize the interdependencies between the analytes and the classifications.
The application of these biostatistical methods with simultaneous inclusion of several VOCs for disease classification by
ion mobility spectrometry of human breath will provide much more information than using single peaks and single concentration
dependencies for disease classification and discrimination of various groups. Towards the future application of potential
biomarkers for clinical diagnostic procedures, complex analytical methods, such as ion mobility spectrometry, need statistical
and bioinformatical tools which are simple in application, visualize the results and support decisions on the basis of the
data obtained from measurements of analytes in exhaled human breath. 相似文献
10.
Nirudodhi S Parsonage D Karplus PA Poole LB Maier CS 《International journal of mass spectrometry》2011,302(1-3):93-100
This is the first comprehensive HX-MS study of a "robust" 2-Cys peroxiredoxin (Prx), namely Salmonella typhimurium AhpC (StAhpC). Prx proteins control intracellular peroxide levels and are abundant antioxidant proteins in eukaryotes, archaea and bacteria. Crystal structural analyses and structure/activity studies of several bacterial and mammalian 2-Cys Prxs have revealed that the activity of 2-Cys Prxs is regulated by redox-dependent oligmerization and a sensitivity of the active site cysteine residue to overoxidation. The propensity to overoxidation is linked to the conformational flexibility of the peroxidatic active site loop. The HX-MS results emphasize the modulation of the conformational motility of the active site loop by disulfide formation. To obtain information on the conformational impact of decamer formation on the active site loop motility, mutants with Thr77 substituted by Ile, a decamer-disrupting mutation or by Val, a decamer-stabilizing mutation, were studied. For the isoleucine mutant, enhanced mobility was observed for regions encompassing the α4 helix located in the dimer-dimer interface and regions surrounding the peroxidatic loop. In contrast, the T77V mutation resulted in an increase in conformational stability in most regions of the protein except for the active site loop and the region encompassing the resolving cysteine. 相似文献