Molecular dynamics simulations and docking of non-nucleoside reverse transcriptase inhibitors (NNRTIs): a possible approach to personalized HIV treatment

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Molecular changes following oxidoreduction of cytochrome b559 characterized by Fourier transform infrared difference spectroscopy and electron paramagnetic resonance: photooxidation in photosystem II and electrochemistry of isolated cytochrome b559 and iron protoporphyrin IX-bisimidazole model compounds

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Proteolytically-induced changes of secondary structural protein conformation of bovine serum albumin monitored by Fourier transform infrared (FT-IR) and UV-circular dichroism spectroscopy

WOS: 000374082000002PubMed ID: 26926394Enzymatically-induced degradation of bovine serum albumin (BSA) by serine proteases (trypsin and alpha-chymotrypsin) in various concentrations was monitored by means of Fourier transform infrared (FT-IR) and ultraviolet circular dichroism (UV-CD) spectroscopy. In this study, the applicability of both spectroscopies to monitor the proteolysis process in real time has been proven, by tracking the spectral changes together with secondary structure analysis of BSA as proteolysis proceeds. On the basis of the FTIR spectra and the changes in the amide I band region, we suggest the progression of proteolysis process via conversion of alpha-helices (1654 cm(-1)) into unordered structures and an increase in the concentration of free carboxylates (absorption of 1593 and 1402 cm(-1)). For the first time, the correlation between the degree of hydrolysis and the concentration of carboxylic groups measured by FTIR spectroscopy was revealed as well. The far UV-CD spectra together with their secondary structure analysis suggest that the a-helical content decreases concomitant with an increase in the unordered structure. Both spectroscopic techniques also demonstrate that there are similar but less spectral changes of BSA for the trypsin attack than for alpha-chymotrypsin although the substrate/enzyme ratio is taken the same. (C) 2016 Elsevier B.V. All rights reserved.Deutscher Akademischer AustauschdienstDeutscher Akademischer Austausch Dienst (DAAD) [DAAD 91578751]Financial support for Mikhail M. Vorob'ev from the Deutscher Akademischer Austauschdienst (DAAD 91578751) is gratefully acknowledged

Photochemical release of ATP from "Caged ATP" studied by time-resolved infrared spectroscopy

Rapid scan Fourier transform infrared (FTIR) spectroscopy and time-resolved single wavelength infrared (IR) spectroscopy have been used to follow the photochemical release of adenosine 5’-triphosphate (ATP) from P3-( 1 -(2-nitrophenyl)ethyl) adenosine 5’-triphosphate (caged ATP). Vibrational difference spectra for the formation first of the aci-nitro anion intermediate and subsequently of ATP and the byproduct(s) were obtained by rapid scan FTIR spectroscopy in the millisecond-to-second time domain. Vibrational modes of the phosphate groups of ATP and caged ATP in the range 1250-900 cm-I could be assigned on the basis of triple and single l8O labeling in caged ATP at the terminal phosphate group and at the bridging oxygen between the terminal phosphate and the 1-(2-nitrophenyl)ethyl group, respectively. The rapid formation and subsequent decay of the aci-nitro anion intermediate were monitored by single-wavelength time-resolved IR spectroscopy at 125 1 cm- ’ (predominantly a PO2- mode of caged ATP and the aci-nitro intermediate). The appearance of the free y-phosphate group of ATP was monitored at 1119 cm-I (P03’- mode of ATP). Decay of the aci-nitro anion intermediate and formation of ATP were well fitted by single exponentials to give a mean rate constant of 218 & 33 s-’ at pH 7 and 22 OC

Tinjauan hukum Islam terhadap pelaksanaan zakat bagi hasil tambak di Desa Kalianyar Kec. Bangil Kab. Pasuruan

Zakat adalah ibadah Maliyah ijtima’ iyah dan merupakan salah satu dari lima Rukun Islam yang mempunyai status dan fungsi penting dalam syari’ at Islam sehingga al Qur’ an menegaskan kewajiban zakat dengan kewajiban sholat bagi setiap muslim. Pada penelitian ini penulis mengambil judul “ Tinjauan Hukum Islam Terhadap Pelaksanaan Zakat Bagi Hasil Tambak Di Desa Kalianyar Kec. Bangil Kab. Pasuruan” dengan rumusan masalah: Bagaimana deskripsi tentang pelaksanaan zakat bagi hasil tambak di desa Kalianyar Kec. Bangil Kab. Pasuruan selama tahun 1991 dan bagaimana tinjauan hukum Islam terhadap pelaksanaan zakat bagi hasil tambak tersebut? Dari penelitian ini dapat disimpulkan bahwa pelaksanaan zakat bgai hasil tambak di desa Kalianyar Kec. Bangil Kab. Pasuruan bibitnya dari penggarap demikian pula biaya perawatannya. Sedangkan pembagian hasilnya penggarap memperoleh sepertiga dari hasil ditambah biaya pembelian bibit dan perawatan sedang pemilik tambak memperoleh dua pertiga dari hasil setelah dikurangi biaya pembelian bibit dan biaya perawatan. Yang berkewajiban membayar zakat adalah pemilik tambak. Dan pihak yang ber hak menerima zakat adalah guru, fakir miskin dan anak yatim. Pelaksanaan zakat bagi hasil tambak ini menyimpang dari hukum Islam karena menurut Islam yang berkewajiban mengeluarkan zakat adalah pemilik benih. Demikian pula tentang penerima zakat menyimpang dari ketentuan dalam al Qur’an