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Introduction: Non-responders to cardiac resynchronization therapy (CRT-NR) have poor prognosis. Sacubitril/valsartan (SV) treatment improved the outcome of patients with heart failure with reduced left ventricular (LV) ejection fraction (HFrEF) in randomized trials with no data on the specific cohort of CRT-NRs. The aim of this study was to compare the echocardiographic and biomarker changes in CRT-NR patients treated with versus without SV, and in patients with HFrEF on SV therapy. Methods: CRT-NR patients initiated on SV (group I), CRT-NR patients on angiotensin-converting enzyme inhibitors/angiotensin receptor blockers (ACEi/ARB) (group II), and patients with HFrEF (without CRT) initiated on SV (group III) were identified in our heart failure (HF) registry. CRT-NR was defined as < 10% improvement in left ventricular ejection fraction (LV EF) 6 months after the implantation. Echocardiographic parameters and N-terminal pro-B-type natriuretic peptide (NT-proBNP) levels at baseline and at the end of follow-up were compared. Results: A total of 275 patients (group I, 70; group II, 70; and group III, 135) were included. After a follow-up of 7.54 ± 1.8 months (mean ± standard deviation [SD]), LV EF (%) increased in group I (25.2 ± 5.7 versus 29.4% ± 6.7; p< 0.001) and in group III (26.6 ± 6.4 versus 29.9 ± 6.7; p< 0.001). LV end-systolic diameters (mm) decreased in group I (56.6 ± 9.0 versus 54.3 ± 8.7; p= 0.004) and in group III (55.9 ± 9.9 versus 54.3 ± 11.2; p= 0.021). The levels of NT-proBNP (pg/mL) decreased in group I (2058.86 [1041.07–4502.51] versus 1121.55 [545–2541]; p< 0.001) and in group III (2223.35 [1233.03–4795.96] versus 1123.09 [500.38–2651.27]; p< 0.001). The extent of improvement was similar in groups I and III (p> 0.05). No significant changes were detected in group II. Conclusion: SV therapy induced similar improvements in echocardiographic parameters and in NT-proBNP levels in CRT-NR patients and in patients with HFrEF without resynchronization.

ABSTRACTMacroautophagy/autophagy is a highly-conserved catabolic procss eliminating dysfunctional cellular components and invading pathogens. Autophagy malfunction contributes to disorders such as cancer, neurodegenerative and inflammatory diseases. Understanding autophagy regulation in health and disease has been the focus of the last decades. We previously provided an integrated database for autophagy research, the Autophagy Regulatory Network (ARN). For the last eight years, this resource has been used by thousands of users. Here, we present a new and upgraded resource, AutophagyNet. It builds on the previous database but contains major improvements to address user feedback and novel needs due to the advancement in omics data availability. AutophagyNet contains updated interaction curation and integration of over 280,000 experimentally verified interactions between core autophagy proteins and their protein, transcriptional and post-transcriptional regulators as well as their potential upstream pathway connections. AutophagyNet provides annotations for each core protein about their role: 1) in different types of autophagy (mitophagy, xenophagy, etc.); 2) in distinct stages of autophagy (initiation, expansion, termination, etc.); 3) with subcellular and tissue-specific localization. These annotations can be used to filter the dataset, providing customizable download options tailored to the user’s needs. The resource is available in various file formats (e.g. CSV, BioPAX and PSI-MI), and data can be analyzed and visualized directly in Cytoscape. The multi-layered regulation of autophagy can be analyzed by combining AutophagyNet with tissue- or cell type-specific (multi-)omics datasets (e.g. transcriptomic or proteomic data). The resource is publicly accessible at http://autophagynet.org.Abbreviations: ARN: Autophagy Regulatory Network; ATG: autophagy related; BCR: B cell receptor pathway; BECN1: beclin 1; GABARAP: GABA type A receptor-associated protein; IIP: innate immune pathway; LIR: LC3-interacting region; lncRNA: long non-coding RNA; MAP1LC3B: microtubule associated protein 1 light chain 3 beta; miRNA: microRNA; NHR: nuclear hormone receptor; PTM: post-translational modification; RTK: receptor tyrosine kinase; TCR: T cell receptor; TLR: toll like receptor.

Climate change threatens the role of European forests as a long-term carbon sink. Assisted migration aims to increase the resilience of forest tree populations to climate change, using species-specific climatic limits and local adaptations through transferring seed provenances. We modelled assisted migration scenarios for seven main European tree species and analysed the effects of species and seed provenance selection, accounting for environmental and genetic variations, on the annual above-ground carbon sink of regrowing juvenile forests. To increase forest resilience, coniferous trees need to be replaced by deciduous species over large parts of their distribution. If local seed provenances are used, this would result in a decrease of the current carbon sink (40 TgC yr−1) by 34–41% by 2061–2080. However, if seed provenances adapted to future climates are used, current sinks could be maintained or even increased to 48–60 TgC yr−1.

Several approximations are introduced and tested to reduce the computational expenses of the explicitly correlated coupled-cluster singles and doubles with perturbative triples [CCSD(T)] method for both closed and open-shell species. First, the well-established frozen natural orbital (FNO) technique is adapted to explicitly correlated CC approaches. Second, our natural auxiliary function (NAF) scheme is employed to reduce the size of the auxiliary basis required for the density fitting approximation regularly used in explicitly correlated calculations. Third, a new approach, termed the natural auxiliary basis (NAB) approximation, is proposed to decrease the size of the auxiliary basis needed for the expansion of the explicitly correlated geminals. The performance of the above approximations and that of the combined FNO-NAF-NAB approach are tested for atomization and reaction energies. Our results show that overall speedups of 7-, 5-, and 3-times can be achieved with double-, triple-, and quadruple-ζ basis sets, respectively, without any loss in accuracy. The new method can provide, e.g., reaction energies and barrier heights well within chemical accuracy for molecules with more than 40 atoms within a few days using a few dozen processor cores, and calculations with 50+ atoms are still feasible. These routinely affordable computations considerably extend the reach of explicitly correlated CCSD(T).

Dehydrated wheat bran (DWB) prepared from wheat bran, has been used as adsorbent for Tylosin removal from aqueous solution. DWB was characterized by Fourier transform infra-Red (FT-IR), scanning electron microscopy and energy dispersive X-ray analysis (EDX). The response surface methodology (RSM) based on central composite design (CCD) was used to evaluate and optimize the effect of four parameters, including pH, DWB concentration, Tylosin (TYL) initial concentration and time of adsorption as independent variables on the adsorption removal efficiency (R %) as the response function. The optimal interaction parameters and conditions were obtained by using the MODDE 06®software. The optimal values of the operation parameters under the related constraint conditions were found at pH 5.05, DWB concentration of 0.86 g L−1, TYL initial concentration of 14.27 mg L−1, in a period time of 111 min, respectively. Under the optimized conditions, the removal efficiency of TYL approached 93.1%. Adsorption isotherm was used to interpret the process of TYL adsorption on DWB, Timken and Langmuir models were the most accurate to fit experimental data. The pseudo-first-order and pseudo-second-order kinetic models were applied to test the experimental data. The pseudo-second-order kinetic model provided the best fitting to the experimental data. The mechanism of the adsorption process was determined from the intraparticle diffusion model. The thermodynamic parameters as ΔH° and ΔS° were calculated and the adsorption process was found to be spontaneous and exothermic.

The accurate and systematically improvable frozen natural orbital (FNO) and natural auxiliary function (NAF) cost-reducing approaches are combined with our recent coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] implementations. Both of the closed- and open-shell FNO-CCSD(T) codes benefit from OpenMP parallelism, completely or partially integral-direct density-fitting algorithms, checkpointing, and hand-optimized, memory- and operation count effective implementations exploiting all permutational symmetries. The closed-shell CCSD(T) code requires negligible disk I/O and network bandwidth, is MPI/OpenMP parallel, and exhibits outstanding peak performance utilization of 50–70% up to hundreds of cores. Conservative FNO and NAF truncation thresholds benchmarked for challenging reaction, atomization, and ionization energies of both closed- and open-shell species are shown to maintain 1 kJ/mol accuracy against canonical CCSD(T) for systems of 31–43 atoms even with large basis sets. The cost reduction of up to an order of magnitude achieved extends the reach of FNO-CCSD(T) to systems of 50–75 atoms (up to 2124 atomic orbitals) with triple- and quadruple-ζ basis sets, which is unprecedented without local approximations. Consequently, a considerably larger portion of the chemical compound space can now be covered by the practically “gold standard” quality FNO-CCSD(T) method using affordable resources and about a week of wall time. Large-scale applications are presented for organocatalytic and transition-metal reactions as well as noncovalent interactions. Possible applications for benchmarking local CCSD(T) methods, as well as for the accuracy assessment or parametrization of less complete models, for example, density functional approximations or machine learning potentials, are also outlined.

The drive toward sustainable phosphorus (P) recovery from agricultural and municipal wastewater streams has intensified. However, combining P recovery with energy conservation is perhaps one of the greatest challenges of this century. In this study, we report for the first time the simultaneous electroless production of struvite and dihydrogen from aqueous ammonium dihydrogen phosphate (NH4H2PO4) solutions in contact with either a pure magnesium (Mg) or a Mg alloy as the anode and 316 stainless steel (SS) as the cathode placed in a bench-scale electrochemical reactor. During the electroless process (i.e., in the absence of external electrical power), the open circuit potential (OCP), the formation of struvite on the anode, and the generation of dihydrogen at the cathode were monitored. We found that struvite is formed, and that struvite crystal structure/morphology and precipitate film thickness are affected by the concentration of the HnPO4n–3/NH4+in solution and the composition of the anode. The pure Mg anode produced a porous 0.6–4.1 μm thick film, while the AZ31 Mg alloy produced a more compact 1.7–9.9 μm thick struvite film. Kinetic analyses revealed that Mg dissolution to Mg2+followed mostly a zero-order kinetic rate law for both Mg anode materials, and the rate constants (k) depended upon the struvite layer morphology. Fourier-transform infrared spectrometry, X-ray diffraction, and scanning electron microscopy indicated that the synthesized struvite was of high quality. The dihydrogen and Mg2+in solution were detected by a gas chromatography–thermal conductivity detector and ion chromatography, respectively. Furthermore, we fully demonstrate that the reactor was able to remove ∼73% of the HnPO4n–3present in a natural poultry wastewater as mainly struvite. This study highlights the feasibility of simultaneously producing struvite and dihydrogen from wastewater effluents with no energy input in a green and sustainable approach.

Single Plane Illumination Microscopy (SPIM) revolutionized time lapse imaging of live cells and organisms due to its high speed and reduced photodamage. Quantitative mapping of molecular (co)mobility by fluorescence (cross-)correlation spectroscopy (F(C)CS) in a SPIM has been introduced to reveal molecular diffusion and binding. A complementary aspect of interactions is proximity, which can be studied by Förster resonance energy transfer (FRET). Here, we extend SPIM-FCCS by alternating laser excitation, which reduces false positive cross-correlation and facilitates comapping of FRET. Thus, different aspects of interacting systems can be studied simultaneously, and molecular subpopulations can be discriminated by multiparameter analysis. After demonstrating the benefits of the method on the AP-1 transcription factor, the dimerization and DNA binding behavior of retinoic acid receptor (RAR) and retinoid X receptor (RXR) is revealed, and an extension of the molecular switch model of the nuclear receptor action is proposed. Our data imply that RAR agonist enhances RAR–RXR heterodimerization, and chromatin binding/dimerization are positively correlated. We also propose a ligand induced conformational change bringing the N-termini of RAR and RXR closer together. The RXR agonist increased homodimerization of RXR suggesting that RXR may act as an autonomous transcription factor.

A completely integral-direct, disk I/O, and network traffic economic coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] implementation has been developed relying on the density-fitting approximation. By fully exploiting the permutational symmetry, the presented algorithm is highly operation count and memory-efficient. Our measurements demonstrate excellent strong scaling achieved via hybrid MPI/OpenMP parallelization and a highly competitive, 60–70% utilization of the theoretical peak performance on up to hundreds of cores. The terms whose evaluation time becomes significant only for small- to medium-sized examples have also been extensively optimized. Consequently, high performance is also expected for systems appearing in extensive data sets used, e.g., for density functional or machine learning parametrizations, and in calculations required for certain reduced-cost or local approximations of CCSD(T), such as in our local natural orbital scheme [LNO-CCSD(T)]. The efficiency of this implementation allowed us to perform some of the largest CCSD(T) calculations ever presented for systems of 31–43 atoms and 1037–1569 orbitals using only four to eight many-core CPUs and 1–3 days of wall time. The resulting 13 correlation energies and the 12 corresponding reaction energies and barrier heights are added to our previous benchmark set collecting reference CCSD(T) results of molecules at the applicability limit of current implementations.

Impaired vascular pathophysiology and increased cardiovascular (CV) mortality are associated with rheumatoid arthritis (RA). To date, no genomic analysis of RA- and RA treatment-related vascular pathophysiology has been published. In this pilot study, we performed gene expression profiling in association with vascular pathophysiology in RA patients. Sixteen and 19 biologic-naïve RA patients were included in study 1 and study 2, respectively. In study 1, genetic signatures determined by microarray were related to flow-mediated vasodilation (FMD), pulse-wave velocity (PWV), and common carotid intima-media thickness (IMT) of patients. In study 2, clinical response (cR) vs non-response (cNR) to 1-year etanercept (ETN) or certolizumab pegol (CZP) treatment, as well as “vascular” response (vR) vs non-response (vNR) to biologics, were also associated with genomic profiles. Multiple testing could not be performed due to the relatively small number of patients; therefore, our pilot study may lack power. In study 1, multiple genes were up- or downregulated in patients with abnormal vs normal FMD, IMT, and PWV. In study 2, there were 13 cR and 6 cNR anti-tumor necrosis factor (TNF)-treated patients. In addition, 10, 9, and 8 patients were FMD-20%, IMT-20%, and PWV-20% responders. Again, vascular responder status was associated with changes of the expression of various genes. The highest number of genes showing significant enrichment were involved in positive regulation of immune effector process, regulation of glucose transport, and Golgi vesicle budding. Differential expression of multiple genetic profiles may be associated with vascular pathophysiology associated with RA. Moreover, distinct genetic signatures may also be associated with clinical and vascular responses to 1-year anti-TNF treatment.

Patients with stable coronary artery disease and diabetes with previous percutaneous coronary intervention (PCI), particularly those with previous stenting, are at high risk of ischaemic events. These patients are generally treated with aspirin. In this trial, we aimed to investigate if these patients would benefit from treatment with aspirin plus ticagrelor.

The aim of this paper is to analyse legal and financial dynamics of the self-governance in three countries of the Visegrad Group: the Czech Republic, Hungary and Slovakia. The paper explores compliance with the European Charter of Local Self-Government, financial independence and operational features of self-governance. The paper provides an overview of the regulatory environment that was set up for the local government in the Visegrad countries, examines the powers by local government, and the degree of its financial independence. The financial aspects of self-government are compared, and compliance with major fiscal rules is examined.

Ability of the DNA double helix to transport electrons is its critical feature, underlying a number of important biological and biotechnological processes. Here, we show that electron transfer (ET) from the gold electrode to the DNA-bound methylene blue (MB) mediated by the DNA base-pair π-stack is less efficient in (dGdC)-rich duplexes compared to pure (dAdT) DNA. The ET rate constant ksextrapolated to the DNA surface coverage ΓDNA→ 0 is 121 ± 8 s–1for (dAdT)25, being almost twofold higher than 67 ± 3 s–1shown for (dGdC)20, consistent with the electric-field-disturbed submolecular structure of the (dGdC)20duplex earlier shown at electrified interfaces. DNA-mediated ET occurs both to MB intercalated and thus perfectly π-stacked into the (dGdC)20duplex and to MB solely groove-bound to (dAdT)25. For both (dGdC)20and (dAdT)25, ET is less efficient than ET in DNA duplexes of a mixed dA, dT, dG, dC composition. The results suggest new interpretations of the biological ET processes that may occur in dsDNA of different compositions at polarized interfaces.

Electrical properties of DNA critically depend on the way DNA molecules are integrated within the electronics, particularly on DNA–electrode immobilization strategies. Here, we show that the rate of electron transport in DNA duplexes spacer-free tethered to gold via the adenosine terminal region (a dA10tag) is enhanced compared to the hitherto reported DNA–metal electrode tethering chemistries. The rate of DNA-mediated electron transfer (ET) between the electrode and methylene blue intercalated into the dA10-tagged DNA duplex approached 361 s–1at a ca. half-monolayer DNA surface coverage ΓDNA(with a linear regression limit of 670 s–1at ΓDNA→ 0), being 2.7-fold enhanced compared to phosphorothioated dA5* tethering (6-fold for the C6-alkanethiol linker representing an additional ET barrier). X-ray photoelectron spectroscopy evidenced dA10binding to the Au surface via the purine N, whereas dA5* predominantly coordinated to the surface via sulfur atoms of phosphothioates. The latter apparently induces the DNA strand twist in the point of surface attachment affecting the local DNA conformation and, as a result, decreasing the ET rates through the duplex. Thus, a spacer-free DNA coupling to electrodes via dA10tags thus allows a perspective design of DNA electronic circuits and sensors with advanced electronic properties and no implication from more expensive, synthetic linkers.

ABSTRACTCarbon-based nanomaterials of different dimensions (1–3D, tubes, bundles, films, papers and sponges, graphene sheets) have been created and their characteristic properties have been discussed intensively in the literature. Due to their unique advantageous, tunable properties these materials became promising candidates in new generations of applications in many research laboratories and, recently, in industries as well. Protein-based bio-nanocomposites are referred to as materials of the future, which may serve as conceptual revolution in the development of integrated optical devices, e.g. optical switches, microimaging systems, sensors, telecommunication technologies or energy harvesting and biosensor applications. In our experiments, we designed various carbon-based nanomaterials either doped or not doped with nitrogen or sulfur during catalytic chemical vapor deposition synthesis. Radio- and isotope analytical studies have shown that the used starting materials, precursors and carriers have a strong influence on the geometry and physico-/chemical characteristics of the carbon nanotubes produced. After determining the 14C isotope constitution 53 m/m% balance was found in the reaction center protein/carbon nanotubes complex in a sensitive way that was prepared in our laboratory. The result is essential in determining the yield of conversion of light energy to chemical potential in this bio-hybrid system.

Nomenclatural type definitions are one of the most important concepts in biological nomenclature. Being physical objects that can be re-studied by other researchers, types permanently link taxonomy (an artificial agreement to classify biological diversity) with nomenclature (an artificial agreement to name biological diversity). Two proposals to amend the International Code of Nomenclature for algae, fungi, and plants (ICN), allowing DNA sequences alone (of any region and extent) to serve as types of taxon names for voucherless fungi (mainly putative taxa from environmental DNA sequences), have been submitted to be voted on at the 11thInternational Mycological Congress (Puerto Rico, July 2018). We consider various genetic processes affecting the distribution of alleles among taxa and find that alleles may not consistently and uniquely represent the species within which they are contained. Should the proposals be accepted, the meaning of nomenclatural types would change in a fundamental way from physical objects as sources of data to the data themselves. Such changes are conducive to irreproducible science, the potential typification on artefactual data, and massive creation of names with low information content, ultimately causing nomenclatural instability and unnecessary work for future researchers that would stall future explorations of fungal diversity. We conclude that the acceptance of DNA sequences alone as types of names of taxa, under the terms used in the current proposals, is unnecessary and would not solve the problem of naming putative taxa known only from DNA sequences in a scientifically defensible way. As an alternative, we highlight the use of formulas for naming putative taxa (candidate taxa) that do not require any modification of the ICN.

Because the degree of labeling (DOL) of cell-bound antibodies, often required in quantitative fluorescence measurements, is largely unknown, we investigated the effect of labeling with two different fluorophores (AlexaFluor546, AlexaFluor647) in a systematic way using antibody stock solutions with different DOLs. Here, we show that the mean DOL of the cell-bound antibody fraction is lower than that of the stock using single molecule fluorescence measurements. The effect is so pronounced that the mean DOL levels off at approximately two fluorophores/IgG for some antibodies. We developed a method for comparing the average DOL of antibody stocks to that of the isolated, cell-bound fraction based on fluorescence anisotropy measurements confirming the aforementioned conclusions. We created a model in which individual antibody species with different DOLs, present in an antibody stock solution, were assumed to have distinct affinities and quantum yields. The model calculations confirmed that a calibration curve constructed from the anisotropy of antibody stocks can be used for determining the DOL of the bound fraction. The fluorescence intensity of the cell-bound antibody fractions and of the antibody stocks exhibited distinctly different dependence on the DOL. The behavior of the two dyes was systematically different in this respect. Fitting of the model to these data revealed that labeling with each dye affects quantum yield and antibody affinity differentially. These measurements also implied that fluorophores in multiply labeled antibodies exhibit self-quenching and lead to decreased antibody affinity, conclusions directly confirmed by steady-state intensity measurements and competitive binding assays. Although the fluorescence lifetime of antibodies labeled with multiple fluorophores decreased, the magnitude of this change was not sufficient to account for self-quenching indicating that both dynamic and static quenching processes occur involving H-aggregate formation. Our results reveal multiple effects of fluorophore conjugation, which must not be overlooked in quantitative cell biological measurements.

ABSTRACTParasolarepresents an enigmatic lineage of veil-less, coprinoid fungi in Psathyrellaceae (Agaricales). The species-level taxonomy of the genus has been in a flux recently, resulting in the elimination of some long-established names and the description of new taxa. Here, we reconstruct the phylogeny of Parasolausing two nuc rDNA loci, the internal transcribed spacer region (ITS1-5.8S-ITS2) and 28S and identify several putatively undescribed species, of which three are formally described here (Parasola crataegi, P. ochracea, and P. plicatilis-similis) based on molecular and morphological data. Morphological descriptions for the new species and an identification key to accepted Parasolaspecies are given. We revise and discuss our current understanding of the phylogeny of Parasola.

Symmetry is a useful concept in physics and chemistry. It can be used to find out some simple properties of a molecule or simplify complex calculations. In this paper a simple vector algebraic method is described to determine all symmetry elements of an arbitrary molecule. To carry out the symmetry analysis, a program has been written, which is also capable of generating the framework group of the molecule, revealing the symmetry properties of normal modes of vibration and symmetrizing the structure. To demonstrate the capabilities of the program, it is compared to other common widely used stand-alone symmetry analyzer (SYMMOL, Symmetrizer) and molecular modeling (NWChem, ORCA, MRCC) software. SYVA can generate input files for molecular modeling programs, e.g. Gaussian, using precisely symmetrized molecular structures. Possible applications are also demonstrated by integrating SYVA with the GAMESS and MRCC software. Program summary Program Title: SYVA Program Files doi: http://dx.doi.org/10.17632/xd4g8hyjf2.1 Licensing provisions: GNU GPLv3 Nature of problem: Determination of molecular symmetry elements and symmetry related properties, such as symmetries of vibrational normal modes, framework group, etc. Solution method: Vector algebraic solution (reflections and rotations) for the generation of symmetry operations, symmetry elements and symmetrization, matrix representation theory for the symmetries of vibrational normal modes. Unusual features: The program can determine the framework group of molecules, the symmetries of vibrational normal modes and symmetrize the geometry. [ABSTRACT FROM AUTHOR]

Hydromorphological and chemical properties of water bodies have pronounced influence on the occurrence and distribution of biological elements in the aquatic ecosystems. Based on a series of abiotic characteristics, seventeen lake types were established in Hungary for management purposes. Benthic diatom assemblages were studied in shallow standing water bodies in Hungary in order to provide a biological validation of these types. Species composition and abundance of the occurring taxa were analysed. By their diatom taxonomic composition five basic lake types could be distinguished; two calcareous lake types, which differ in size and in their trophic characteristics and three types within the group of high salinity lakes. In this latter group the astatic and perennial lakes showed considerable differences. These results have great practical importance, because biological validation of the hydromorphological lake typology is the first step for reliable assessment of the ecological status of water bodies.

The energy and enthalpy differences of alkane conformers in various temperature ranges have been the subject for both experimental and theoretical studies over the last few decades. It was shown previously for the conformers of butane [G. Tasi et al., J. Chem. Theory Comput.2012, 8, 479–486] that quantum chemical results can compete with spectroscopic techniques and results obtained even from the most carefully performed experiments could be biased due to the improper statistical model utilized to evaluate the raw experimental data. In the current study, on one hand, the experimental values and their uncertainties for the enthalpy differences for pentane conformers are re-evaluated using the appropriate statistical model. On the other hand, a coupled-cluster-based focal-point analysis has been performed to calculate energy and enthalpy differences for the conformers of pentane. The model chemistry defined in this study includes contributions up to the perturbative quadruple excitations augmented with further small correction terms beyond the Born–Oppenheimer and nonrelativistic approximations. Benchmark quality energy and enthalpy differences for the pentane conformers are given at temperatures 0 and 298.15 K as well as for the various temperature ranges used in the gas-phase experimental measurements. Furthermore, a slight positive shift for the experimental enthalpy differences is also predicted due to an additional Raman active band belonging to the gauche–gauche conformer.

A new genus Psathylomais described based on collections of agarics from New Zealand. We describe two new species in the genus, Ps. leucocarpumand Ps. catervatim, both of which have been known and tentatively named for a long time awaiting a formal description. Morphological traits and phylogenetic analyses reveal that Psathylomaforms a strongly supported sister clade to Hebeloma, Naucoriaand Hymenogaster. Morphologically Psathylomaresembles Hebelomafrom which it differs mainly by producing smooth basidiospores with a germ pore. The geographical range of the genus has been demonstrated to include several regions in the southern hemisphere. A survey of published environmental sequences reveals that Psathylomaspp. were isolated from ectomycorrhizal root tips from Tasmania and Argentina, indicating an ectomycorrhizal association with southern beech.

Elméleti háttér:A rezíliencia azon jellemzőket foglalja magában, amelyek elősegítik a veszélyeztetett életkörülmények ellenére történő sikeres alkalmazkodást, enyhítik a stressz negatív hatásait és lehetővé teszik a változásokkal szembeni adaptív megküzdést. A Connor-Davidson Rezíliencia Skála (CD-RISC) a lelki ellenálló képesség mérésére kidolgozott eszköz. Cél:A kutatás célja a 25-itemes CD-RISC magyar nyelvre adaptálása és pszichometriai elemzése volt. Módszerek:Keresztmetszeti, kérdőíves vizsgálatunkban 100 fős autoimmun betegcsoport (átlagéletkor = 51,49 év; szórás = 12,87 év) és 164 fős egészséges kontrollcsoport vett részt (átlagéletkor = 43,77 év; szórás = 15,78 év), akik az alábbi kérdőíveket töltötték ki: Connor-Davidson Rezíliencia Skála, Kórházi Szorongás és Depresszió Skála (HADS), Temperamentum és Karakter Kérdőív (TCI). Eredmények:Magyar mintán a konfirmatív faktorelemzés nem igazolta az eredeti rezíliencia-kérdőív 5-faktoros struktúráját, míg a feltáró faktorelemzés 6 faktort eredményezett. A kérdőív Cronbach-alfa értéke magas (0,869) volt. A CD-RISC az elvárásoknak megfelelő irányú és mértékű korrelációt mutatott a validáláshoz alkalmazott mérőeszközökkel. Szignifikáns pozitív korrelációt találtunk a TCI önirányítottságot (r = 0,449; p < 0,001) és együttműködést (r = 0,171; p < 0,05) mérő skáláival; míg szignifikáns negatív együttjárást a TCI ártalomkerülést mérő skálájával (r = –0,558; p < 0,001) és a HADS depressziót (r = –0,477; p < 0,001) és szorongást (r = –0,326; p < 0,001) mérő alskáláival. Egy bináris logisztikus regresszió-analízis eredményei igazolták, hogy a CD-RISC alkalmas az autoimmun beteg és egészséges csoport elkülönítésére a rezíliencia értékek mentén. Következtetések:Összességében elmondhatjuk, hogy a 25-itemes CD-RISC magyar változatának pszichometriai mutatói megfelelőek, a kérdőív megbízható és érvényes mérőeszköznek bizonyult a rezíliencia mérésére.

Autophagy is a complex cellular process having multiple roles, depending on tissue, physiological, or pathological conditions. Major post-translational regulators of autophagy are well known, however, they have not yet been collected comprehensively. The precise and context-dependent regulation of autophagy necessitates additional regulators, including transcriptional and post-transcriptional components that are listed in various datasets. Prompted by the lack of systems-level autophagy-related information, we manually collected the literature and integrated external resources to gain a high coverage autophagy database. We developed an online resource, Autophagy Regulatory Network (ARN; http://autophagy-regulation.org), to provide an integrated and systems-level database for autophagy research. ARN contains manually curated, imported, and predicted interactions of autophagy components (1,485 proteins with 4,013 interactions) in humans. We listed 413 transcription factors and 386 miRNAs that could regulate autophagy components or their protein regulators. We also connected the above-mentioned autophagy components and regulators with signaling pathways from the SignaLink 2 resource. The user-friendly website of ARN allows researchers without computational background to search, browse, and download the database. The database can be downloaded in SQL, CSV, BioPAX, SBML, PSI-MI, and in a Cytoscape CYS file formats. ARN has the potential to facilitate the experimental validation of novel autophagy components and regulators. In addition, ARN helps the investigation of transcription factors, miRNAs and signaling pathways implicated in the control of the autophagic pathway. The list of such known and predicted regulators could be important in pharmacological attempts against cancer and neurodegenerative diseases.

Acute heart failure (AHF) emerges as a major and growing epidemiological concern with high morbidity and mortality rates. Current therapies in patients with acute heart failure rely on different strategies. Patients with hypotension, hypoperfusion, or shock require inotropic support, whereas diuretics and vasodilators are recommended in patients with systemic or pulmonary congestion. Traditionally inotropic agents, referred to as Ca2mobilizers load the cardiomyocyte with Ca2and thereby increase oxygen consumption and risk for arrhythmias. These limitations of traditional inotropes may be avoided by sarcomere targeted agents. Direct activation of the cardiac sarcomere may be achieved by either sensitizing the cardiac myofilaments to Ca2or activating directly the cardiac myosin. In this review, we focus on sarcomere targeted inotropic agents, emphasizing their mechanisms of action and overview the most relevant clinical considerations.

Heart failure with preserved ejection fraction (HFPEF) is frequently associated with multiple disorders complicating both the clinical management and the understanding of the underlying mechanisms. This review focuses on the causes and pathophysiology of HFPEF and overviews how cellular and molecular changes related to various comorbidities may influence the age-dependent and gender-dependent hemodynamic alterations of diastolic ventricular function.

n this paper, we present a signal processing interface for previously developed inductive displacement sensor, whose inductance is proportional to displacement of sensor elements. This measurement interface is based on measuring of root mean square (RMS) value of voltage on the sensor. This measurement method ensures good accuracy and high measurement rates of very small inductances, order of nH. A hardware realization of signal processing interface is described in details. Measurement results are presented and compared with values measured by impedance analyzer.

This paper investigates the force-dependent contact area excitation of the standardForce Sensing Resistor (Interlink FSR) with modified conductive contacts. The force dependentarea excitation was accomplished by the deformation of a dome shaped rubber element. Thecharacteristic of the FSR - the pressure dependency of its specific conductance (per length)was experimentally obtained from the fixed contact area excitation. The power law function,chosen to represent the characteristic, is then fitted to experimental results. Verification ofthe characteristic was done by comparing the measured and predicted values of the sensorconductance when the force-dependent excitation is applied.

Commercially available reflective optical sensors can be used as displacement sensors which in turn can be used in vibration monitoring, positioning, force-measurement and other applications. The sensor output depends in all cases on the distance between the component and a suitable reflective surface. In this paper a sensor system applicable to vibration measurement (e.g. monitoring a vibration-generating machine mounted on elastic isolation mountings) is presented where a special mechanism enables the controlled adjustment of the reflective surfaces position. This feature allows continuous operating point adjustment while the sensor measures vibration. On the other hand, during the intervals when the vibration measurement is not active (e.g. the machine is not in use), the system can be used to automatically calibrate the sensor, i.e. to measure the dependence of the optical sensor output from the distance to the reflective surface. This allows accurate measurements under various circumstances: temperature change, optical component replacement, staining of the reflective surface, ingress of dirt etc. The reflective surface adjustment system is controlled by an embedded digital system which also controls the calibration procedure. Range depends largely on the type of reflective sensor. In case of the component TCRT1000 used in the experiments, range is up to 4 mm.

Abstract:Sections Lanatuliand Atramentariiof the genus Coprinopsiscontain some of the best known and most important agaric species, including C. cinereaand C. lagopus,yet a critical, phylogeny-based assessment of the species limits has not been carried out. Taxa have been characterized chiefly on the basis of morphological characters, which however show little discriminatory power and/or considerable overlap between several species pairs. We used ITS and LSU sequence data of 29 described taxa in Coprinopsissections Lanatuliand Atramentariito infer species limits and the correspondence between morphological characters and species lineages, as well as to examine the phylogenetic affinities of sections Lanatuliand Atramentarii.Our analyses recovered three large clades, implying a paraphyly for section Lanatuli.Based on morphology and clade structure, we estimate ca. 38 species in the two sections, including several potentially new taxa, three of which are described herein. Coprinopsis pachyderma, C. lagopus var. vacillans, C. acuminata, C. spelaiophila, Coprinus citrinovelatusand Cop. brunneistrangulatuswere found to be synonymous with other, earlier described species. Congruent with previous mating studies, our analyses recovered multiple, morphologically indistinguishable lineages within C. lagopus,which included C. lagopusvar. vacillans,an ephemeral, developmental variant. Morphological traits supporting the inferred clade structure are discussed. Three new taxa (C. fusispora, C. babosiae, C. villosa), and one new combination (C. mitraespora) are proposed.

We inferred the phylogenetic structure and species limits within Coprinellusby using a newly generated multigene alignment of LSU, ITS and β-tubulin sequences. We sampled 154 specimens of 71 species out of ca. 80 known taxa in Coprinellusand inferred phylogenetic relationships by Bayesian MCMC and ML bootstrapping. Morphological and phylogenetic analyses revealed 17 new species, five of which are described herein. Coprinelluswas split into three large clades, one comprising species with an initially continuous sheath of veil (Domestici/Micacei clade) and two consisting of primarily setulose (haired) species (eurysporoid and Core Setulosi clades). The separation of veiled species and the clade structure therein corresponds well to the morphology-based sectional classification, although the inclusion of certain setulose taxa (e.g. C. disseminatus, C. verrucispermus, C. curtusetc.) in these clades necessitates a new morphological definition for the sections. Morphological traits are discussed for all clades of Coprinellus. Species limits in the eurysporoid and Core Setulosi clades are scrutinized in detail. Future directions of species-rank research and an artificial key to the recovered setulose species of Coprinellusis presented.

The zinc content of 3 μL of vegetal samples (tree leaves, lichens and grape sap) atomized from a Pt-wire in the methane–air flame has been determined by atomic absorption spectrometry. The effect of gas flow rates and the atomization height in the flame on the absorption of zinc was evaluated at 213.9 nm. The best results were obtained at a height of 5 mm and gas flow rates of 200 L/h air and 26 L/h methane, respectively. The effect of Na, K, Ca, Mg, SO42−, and PO43− on the absorption of zinc was studied too. The detection limit of 0.40±0.21 ng was obtained at a significance level of 0.05, using the two-step Neyman–Pearson criterion. The zinc content of the samples has been determined with continuous nebulization and by atomization from the Pt-wire, using both the standard calibration curve and the standard addition method. The results of the two procedures agree within the determination errors.

The lowest soil temperature values were found for no-tillage both on the surface and in each examined soil layer to 0.5 m depth. However, there were differences among the ploughed treatments only in the topsoil (0.1 m), below this layer similar soil temperature values were obtained. In our experience maize emergence and growing were strongly affected by soil temperature in the upper 0.1 m depth. Our results of pore size distribution indicated that changes in the total porosity occurred due to the changes in the macroporosity since the meso- and the microporosity were not affected by soil management. The lowest macroporosity was observed under no-tillage, but it can be assumed that the majority of these pores (>30 mm) belongs to biopores due to a higher abundance of earthworms improving the general physical and biological state of soil.

Chromatin immunoprecipitation (ChIP) is a widely used technique for the detection of in vivo DNA–protein interactions underlying epigenetic regulation. The standard readout of ChIP is based on semi‐quantitative or quantitative PCR measurements; however, the development of alternative platforms with high throughput potentialities is expected to facilitate the introduction of this method into routine diagnostics.We have established a flow‐cytometry‐based alternative for the evaluation of ChIP data. The method is based on the capture of the products of a conventional PCR run to low cycle numbers, on microbeads.In vivo histone H4 acetylation and H3 lysine 4 methylation was detected at the promoter of the tissue transglutaminase type 2 gene. These results were confirmed by QPCR measurements. The levels of modifications decreased significantly upon apoptosis and were accompanied by the down‐regulation of TGM2 mRNA expression.This method that we named ChIP‐on‐beads, a combination of flow cytometry and conventional PCR, is a reliable and efficient alternative in the quantitative analysis of ChIP results, especially promising when high throughput monitoring of epigenetic markers of diagnostic importance is required. The method is simple enough to be easily implemented in a routine flow‐cytometric laboratory. © 2006 International Society for Analytical Cytology

Objective:The possible involvement of reactive oxygen species (ROS) in the protective effects of ischaemic preconditioning (PC) against arrhythmias was examined in anaesthetised dogs using the ROS scavenger N-2-mercaptopropionylglycine (MPG). Methods:PC was induced in 20 chloralose-urethane anaesthetised dogs by two 5 min occlusions of the left anterior descending (LAD) coronary artery 20 min prior to the prolonged (25 min) ischaemia/reperfusion (I/R) insult. In 10 of these dogs MPG was infused locally into a small side branch of the LAD in a dose of 0.15 mg kg−1min−1, starting 10 min prior to and continuing throughout the entire PC procedure. In another four dogs subjected to preconditioning in the absence and then 2h later in the presence of MPG free radical formation was evaluated by the chemiluminescence method. Eleven dogs, infused with saline and subjected to a 25 min I/R insult, served as controls. A further 9 dogs, which were not preconditioned, were given MPG over a period of 60 min prior to occlusion. Results:Preconditioning markedly reduced the number of ventricular premature beats (VPBs; 86 ± 34 v. 377 ± 78; P< 0.05), the episodes of ventricular tachycardia (VT; 2.0 ± 0.7 v. 13.6 ± 4.5; P< 0.05) and the incidences of both VT (60% v. 91%) and ventricular fibrillation (0% v. 82%; P< 0.05) during the prolonged occlusion. Survival (from the combined ischaemia and reperfusion insult) was significantly increased (40% v. 0%; P< 0.05) by PC. MPG did not modify the protective effects of PC, although free radical (mostly superoxide) formation that occurred following PC was abrogated in the presence of MPG. Thus, the number of VPBs (111 ± 39), VT episodes (1.2 ± 0.9) and the incidences of VT (20%) and VF (0%) during occlusion were similar to the PC dogs. MPG itself did not significantly modify arrhythmia severity in non-PC dogs. Conclusions:We conclude that in our canine model of ischaemia/reperfusion the generation of ROS does not play a trigger role in the early PC-induced antiarrhythmic protection.

The complex formation between cobalt(II) and chloride and bromide ions in molten calcium nitrate tetrahydrate at different temperatures has been studied by a spectrophotometric technique. Addition of halide ions to cobalt(II) nitrate solution in calcium nitrate tetrahydrate caused a pronounced shift of the absorption maximum toward lower energies and a large increase of absorption intensity, indicating a change from octahedral to a tetrahedral co-ordination. The change of co-ordination depends on temperature and halide concentration. Stability constants for the [Co(NO3)4]2−, [Co(NO3)2X2]2− and [CoX4]2− complexes at 40 and 70 ◦C and the corresponding species spectra are reported.

The complex formation of diethyltin(iv) cation with glycolic (GA), lactic (LA), succinic (SA), malic (MA), tartaric (TA), mercaptoacetic (MAA), 2-mercaptopropionic (MPA), mercaptosuccinic (MSA) and dimercaptosuccinic acid (DMSA) has been investigated by potentiometric, spectrophotometric, 1H NMR and Mössbauer spectroscopic methods. The mercaptocarboxylic acids yielded much more stable complexes than the corresponding hydroxy acids. Below pH 3, the carboxylate and the still protonated hydroxyl group of hydroxy acids are co-ordinated to the metal ion, while in the case of their thio analogues, {COO−, S−} co-ordinated species are dominant. With increasing pH, the metal promoted deprotonation of the hydroxyl group takes place in the presence of MA. In the neutral pH range, among the hydroxy acids, only MA and TA are able to suppress the formation of hydrolytic species of diethyltin(iv). Although metal co-ordinated water deprotonation was observed around pH 6–7, in the case of the mercaptocarboxylic acids, only ligand-containing complexes were formed in the whole pH range studied. Complexes displaying slow ligand exchange were detected in the case of MA and all mercaptocarboxylic acids, which allowed their structural characterization, by 1H NMR spectroscopy. In agreement with the Mössbauer spectroscopic data, trigonal bipyramidal, {COO−, O−/S−, OH−} co-ordinated complexes are dominant around pH 7, with the exception of the octahedral geometry found in the dimer complex M₂L₂ of DMSA, having a {2COO−, 2S−} donor set.

A quantitative model describing the amplitude of semiquinone absorption in photosynthetic reaction centres after successive flashes in the presence of increasing inhibitor concentration is presented. By using relatively simple algebra, the semiquinone signals can be calculated and fitted to the oscillation pattern by optimizing only two parameters; the electron and quinone equilibrium constants, Ke and Kq, respectively. In this work we expand our earlier model [Tandori et al. (1991) Photosynthetica 25, 159–166] by introducing the inhibitor equilibrium constant, Ki, describing the best fit of the model to the measured oscillation pattern. We found that there are characteristic parameters of the measured and normalized signal, and of those calculated from the mathematical model, which fit well with competitive Michaelis-Menten kinetics. Keywords: electron transport, photosynthesis, QB-site, reaction centres, Rhodobacter sphaeroides.

Inhibition of electron transport and damage to the protein subunits by visible light has been studied in isolated reaction centers of the non-sulfur purple bacterium Rhodobacter sphaeroides. Illumination by 1100 μEm−2s−1light induced only a slight effect in wild type, carotenoid containing 2.4.1. reaction centers. In contrast, illumination of reaction centers isolated from the carotenoidless R26 strain resulted in the inhibition of charge separation as detected by the loss of the initial amplitude of absorbance change at 430 nm arising from the P+QB−→ PQBrecombination. In addition to this effect, the L, M and H protein subunits of the R26 reaction center were damaged as shown by their loss on Coomassie stained gels, which was however not accompanied by specific degradation products. Both the loss of photochemical activity and of protein subunits were suppressed in the absence of oxygen. By applying EPR spin trapping with 2,2,6,6-tetramethylpiperidine we could detect light-induced generation of singlet oxygen in the R26, but not in the 2.4.1. reaction centers. Moreover, artificial generation of singlet oxygen, also led to the loss of the L, M and H subunits. Our results provide evidence for the common hypothesis that strong illumination by visible light damages the carotenoidless reaction center via formation of singlet oxygen. This mechanism most likely proceeds through the interaction of the triplet state of reaction center chlorophyll with the ground state triplet oxygen in a similar way as occurs in Photosystem II.

The main tasks for climate controllers in potato bulk stores are to keep the storage climate in a constant state for quality conservation. To reduce energy costs the internal climate of potato bulk stores is controlled with outdoor air. Since a conventionally designed controller is difficult to adapt to reach an appropiate climate control, a controller designed with fuzzy logic is found as advantageous for adapting control parameters to improve the control process. A test stand is built to ventilate and control two samples of potato bulks simultaneously under the same outdoor weather conditions. Two different climate controllers (e.g. conventional to fuzzy) are compared.

We previously reported that mice lacking the RARγ gene and one or both alleles of the RARβ gene (i.e., RARβ+/−/RARγ−/−and RARβ−/−/RARγ−/−mutants) display a severe and fully penetrant interdigital webbing (soft tissue syndactyly), caused by the persistence of the fetal interdigital mesenchyme (Ghyselincket al.,1997,Int. J. Dev. Biol.41, 425–447). In the present study, these compound mutants were used to investigate the cellular and molecular mechanisms involved in retinoic acid (RA)-dependent formation of the interdigital necrotic zones (INZs). The mutant INZs show a marked decrease in the number of apoptotic cells accompanied by an increase of cell proliferation. This marked decrease was not paralleled by a reduction of the number of macrophages, indicating that the chemotactic cues which normally attract these cells into the INZs were not affected. The expression of a number of genes known to be involved in the establishment of the INZs, the patterning of the autopod, and/or the initiation of apoptosis was also unaffected. These genes includedBMP-2,BMP-4,Msx-1,Msx-2, 5′ members of Hox complexes,Bcl2, Bax,andp53.In contrast, the mutant INZs displayed a specific, graded, down-regulation of tissue transglutaminase (tTG) promoter activity and of stromelysin-3 expression upon the removal of one or both alleles of the RARβ gene from the RARγ null genetic background. As retinoic acid response elements are present in the promoter regions of both tTG and stromelysin-3 genes, we propose that RA might increase the amount of cell death in the INZs through a direct modulation of tTG expression and that it also contributes to the process of tissue remodeling, which accompanies cell death, through an up-regulation of stromelysin-3 expression in the INZs. Approximately 10% of the RARβ−/−/RARγ−/−mutants displayed a supernumerary preaxial digit on hindfeet, which is also a feature of theBMP-7null phenotype (Dudleyet al.,1995,Genes Dev.9, 2795–2807; Luoet al.,1995,Genes Dev.9, 2808–2820).BMP-7was globally down-regulated at an early stage in the autopods of these RAR double null mutants, prior to the appearance of the digital rays. Therefore, RA may exert some of its effects on anteroposterior autopod patterning through controllingBMP-7expression.

Four complexes of silsesquioxanes with di- and triorganotin(IV) cations have been prepared; their composition was determined by standard analytical and spectroscopic methods. The results show that complexes containing an organotin(IV) moiety and the ligand in a 1:1 ratio are formed. FTIR spectra are consistent with the presence of Sn*O vibrations in the compounds. The structure of the complexes is discussed on the basis of Mößbauerand multinuclear (1H, 13C, 119Sn, and 29Si) NMR spectroscopic measurements. Comparison of the experimental quadrupole splitting (QS) with that calculated on the basis of the partial quadrupole splitting (PQS) concept revealed that the complexes formed with dialkyltin(IV) cations as well as the trialkyl derivatives have a regular tetrahedral structure. A new organohafnium silsesquioxane derivative ([Cy7Si7O12Hf(C5Me5)], Cy=cyclohexyl, 5), was prepared by treatment of [Cy7Si7O9(OH)3] with (C5Me5)HfMe3under elimination of methane. The molecular structure of 5was determined by X-ray crystallography. Vier Komplexe von Silsesquioxanen mit Di- und Triorganozinn(IV)-Kationen wurden hergestellt; ihre Zusammensetzung wurde mit analytischen und spektroskopischen Standardmethoden bestimmt. Die Ergebnisse zeigen, daß in den gebildeten Komplexen Organozinneinheit und Ligand im Verhältnis von 1:1 vorhanden sind. FTIR-Spektren stehen im Einklang mit dem Auftreten von Sn*O-Schwingungen in den Verbindungen. Die Struktur der Komplexe wird auf der Grundlage von Mößbauer-Spektren und multinuklearen NMR-Experimenten (1H, 13C, 119Sn, 29Si) diskutiert. Ein Vergleich der experimentell beobachteten Quadrupolaufspaltung (QS) mit nach dem Konzept der partiellen Quadrupolaufspaltung (PQS) berechneten Werten ergab sowohl für die mit dem Dialkyzinn(IV)-Kation gebildeten Komplexe als auch für die Trialkylderivate eine regelmäßige tetraedrische Struktur. Ein neues Organohafniumsilsesquioxanderivat ([Cy7Si7O12Hf(C5Me5)], Cy=Cyclohexyl, 5) wurde durch Umsetzung von [Cy7Si7O9(OH)3] mit (C5Me5)HfMe3unter Abspaltung von Methan hergestellt; seine Molekülstruktur wurde mittels Röntgenstrukturanalyse bestimmt.

The co-ordination of dimethyltin(IV) to 5′-GMP, 5′-ATP and 5′-d(CGCGCG)2 and to their sugar constituents (D-ribose and 2-deoxy-D-ribose) was investigated in aqueous solution by means of potentiometric titration and 1H and 31P NMR spectroscopic methods. The results showed that in acidic media the phosphate groups can provide suitable sites for metal ion co-ordination, while the hydroxy groups of the sugars or the sugar moieties of the two nucleotides play a role in this process at higher pH. The base moieties of 5′-GMP and 5′-ATP were not co-ordinated to dimethyltin(IV). The stability constants of the complexes formed in the above systems were determined by pH-metric titration. The data revealed a stronger co-ordination ability of the triphosphate as compared with that of the monophosphate. The comparison of the stability constants of the D-ribose and 2-deoxy-D-ribose complexes showed that more stable species were formed when neighbouring alcoholic hydroxy groups were available for co-ordination. The observed chemical shift changes of the 31P NMR resonances, as compared with those measured for the metal-free systems, demonstrated that the phosphate groups of the DNA fragment 5′-d(CGCGCG)2 chains act as binding sites for dimethyltin(IV) between pH 4.5 and 7. The 1- and 2-D 1H NMR spectra indicated that the base and sugar moieties do not participate in the co-ordination process under these conditions.

The intracellular activity and expression of tissue transglutaminase, which crosslinks proteins through ϵ(γ-glutamyl)lysine isodipeptide bond, was investigated in CHO cells and those stably transfected with either inducible c-Myc (which leads to apoptosis) or with c-myc and the apoptosis inhibitor Bcl-2. Protein-bound cross-link content was significantly higher when apoptosis was induced by c-Myc while the concomitant presence of Bcl-2 markedly reduced both apoptosis and enzymatic protein cross-linking. The expression of tissue transglutaminase did not change following the initiation of apoptosis by c-Myc or when it was blocked by Bcl-2. Studying transiently co-transfected elements of the mouse tissue transglutaminase promoter linked to a reporter enzyme revealed their overall repression in cells expressing c-Myc. This repression was partially suspended in cells also carrying Bcl-2. Our data suggest that tissue transglutaminase is not induced when c-Myc initiates apoptosis but the pre-existing endogenous enzyme is activated.

Mixed ligand complexation of copper(II) with bromide ions and 2,2′-bipyridyl (bpy) has been calorimetrically studied in N,N-dimethylformamide (DMF) containing 0.16 mol dm−3(C2H5)4NClO4at 25°C. Complexation of the metal ion with 2,2′-bipyridyl has been also studied in the same solution. The calorimetric titration curves obtained were satisfactorily explained in terms of formation of the mononuclear [CuBrp(bpy)q](2−p)+(denoted as (1pq)) complexes such as (101), (102), (103), (111), (121), and (112), and their formation constants and enthalpies were determined. The mixed ligand (111), (112), and (121) complexes are quite stable and yielded to a large extent in the DMF solution. Electronic spectra of these complexes have been measured in DMF over the range 400–1500 nm. The thermodynamic quantities of formation and electronic spectra of the complexes thus obtained are discussed in connection with the coordination structure of the complexes in DMF. The formation of the five-coordinate [Cu(bpy)2(dmf)]2+and [CuBr(bpy)2]+complexes is suggested in the DMF solution as well as in crystal.

The thallium(I)-2-pyridyl-cyanoxime complex was prepared in a 82% yield. An X-ray crystallographic study of C7H4N3OT1 (Space group P21/c, a = 4.134(1), b = 8.875(2), c = 22.217(6) Å, β = 92.55(2)°, Ζ = 4, R = 4.36%, wR = 3.94% for 930 reflections) showed that the complex contains thallium(I) in a trigonal bipyramidal arrangement.