
Dr. Folke Mitzlaff Raum 225 Universität Kassel Fachbereich Elektrotechnik/Informatik Fachgebiet Wissensverarbeitung Wilhelmshöher Allee 64 – 66 34121 Kassel E-Mail: eisterlehner@cs.uni-kassel.de Tel.: ++49 (0) 561 804-6094 Fax.: ++49 561 804-6259 |
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- در مسأله مکانیابی مراکز سرویسدهنده با ظرفیت نامحدود، هدف کمینه کردن هزینههای سرویسدهی میباشد. این مسأله از نوع \lr{NP-hard} بوده و روشهای فراابتکاری راهحلهای خوبی، در زمان معقول برای این مسائل ارائه مینمایند. در این مقاله، سه روش جستوجوی تابو، الگوریتم ژنتیک و الگوریتم انبوهسازی(ازدحام) ذرات تحت شرایط یکسان پیادهسازی شده و نتایج بهدست آمده با شیوهی جدیدی مورد مقایسه قرار گرفتهاند. نتایج آزمایشات نشان داده است که به طور کلی الگوریتم ژنتیک روش بهتری برای حل این مسأله است.
- در مسئله برش مینیمم هدف مینیمم کردن ظرفیت یالهای برش است. از روشهای تقریبی حل این مسائل میتوان به الگوریتم کارگِر اشاره کرد. که از تلفیق لبه ها به صورت تصادفی استفاده میکند .در این مقاله از شبیهسازی تبریدی برای حل این مسئله استفاده شده است و نتایج آن با روش کارگِر مقایسه شده است. نتایج آزمایشات برتری روش پیشنهادی را نسبت به روش کارگِر از منظر سرعت اجرا، نرخ همگرایی و میانگین خطا نشان داده است.
- در مسئله برش مینیمم هدف مینیمم کردن ظرفیت یالهای برش است. از روشهای تقریبی حل این مسائل میتوان به الگوریتم کارگِر اشاره کرد. که از تلفیق لبه ها به صورت تصادفی استفاده میکند .در این مقاله از جستجوی ممنوعه برای حل این مسئله استفاده شده است و نتایج آن با روش کارگِر مقایسه شده است. نتایج آزمایشات برتری روش پیشنهادی را نسبت به روش کارگِر از منظر سرعت اجرا، نرخ همگرایی و میانگین خطا نشان داده است.
- مسئله مکانیابی هاب یک تعمیم نسبتاً جدید از مسائل مکانیابی است. این مسائل با پیدا کردن مکانهای هاب و تخصیص نقاط تقاضا به این مکانها سرو کار دارد.ما هابها را که بخشهای پر ازدحام شبکه هستند، همانند یک صف M/G/1 مدلبندی میکنیم. در این مقاله ابتدا یک برنامهریزی غیر خطی با محدودیتهای خطی برای مسئله نمایش میدهیم که زمان کلی حمل و نقل بین گرههای شبکه را مینیمم میکند، سپس این مسئله را با استفاده از الگوریتم ژنتیک حل میکنیم و با الگوریتم جستجوی ممنوعه مقایسه میکنیم.
- شناسایی ناحیه مرتبط با یک بافت خاص اهمیت زیادی در پزشکی و فیزیولوژی دارد. در این مقاله راهكاری برای تشخیص و جداسازی ناحیه چربی در تصاویر MRI ران پا مبتنی بر شبکه عصبی با کوپلاژ پالسی ارائه شده است . هدف اصلی سنجش میزان تاثیر ورزشهای خاص در کاهش یا افزایش حجم چربی ران بوده است. الگوریتمهای متفاوتی برای این كار پیادهسازی و مورد استفاده قرار گرفت. نتایج آزمایشات انجام شده نشان داد که برای این کاربرد خاص، شبكه عصبی با كوپلاژ پالسی، بهترین نتیجه قطعهبندی را بدست میدهد.
- زیپرشین دستهای از ماکروهاست که حروفچینی پارسی را در لاتک ساده نموده و به عنوان یک بستهی منبع باز از تواناییهای بالایی برای حروفچینی برخوردار میباشد. در این نوشتار به معرفی زیپرشین، روند پیدایش و گسترش آن و مقایسهی آن با سیستمهای مشابه پرداخته شده است. همچنین تلاش شده است ویژگیهای اصلی، توانمندیها و ابزارهای وابسته به آن بیان شده و به پرسشهای معمول پیرامون آن پاسخ داده شود. هماکنون افراد بسیاری از این بسته برای حروفچینی اسناد پارسی خود در لاتک بهره میبرند و کاربرد آن در جامعهی علمی ایران رو به گسترش است.
- تطبیق رشته در واقع همان جستجوي یک عبارت دلخواه در یک متن می باشد که یک مسئله اساسی درعلوم کامپیوتر می باشد و الگوریتم هاي زیادي در این زمینه ارائه شده و مورد استفاده قرار گرفته اند. یک الگوریتم اساسی در این زمینه می باشد در این مقاله ما با BoyerMoore از آنجایی که الگوریتم بسط مرتبه دوم این الگوریتم و استفاده کردن از بخش تطابق یافته در جستجوي مرحله قبلی الگوریتمی را ارائه نموده ایم که با دارا بودن شرایط خاصی داراي پیچیدگی زمانی بسیار کمتري نسبت به الگوریتم هاي جستجوي متن قبلی می باشد
- زیپرشین دستهای از ماکروهاست که حروفچینی پارسی را در لاتک ساده نموده و به عنوان یک بستهی منبع باز از تواناییهای بالایی برای حروفچینی برخوردار میباشد. در این نوشتار به معرفی زیپرشین، روند پیدایش و گسترش آن و مقایسهی آن با سیستمهای مشابه پرداخته شده است. همچنین تلاش شده است ویژگیهای اصلی، توانمندیها و ابزارهای وابسته به آن بیان شده و به پرسشهای معمول پیرامون آن پاسخ داده شود. هماکنون افراد بسیاری از این بسته برای حروفچینی اسناد پارسی خود در لاتک بهره میبرند و کاربرد آن در جامعهی علمی ایران رو به گسترش است.
- تصاویر تشدید مغناطیسی و ماموگرافی ابزارهای تشخیصی قدرتمندی برای آشکارسازی انواع ضایعات و سرطانها در مراحل اولیه بیماری هستند. در این مقاله یک روش ترکیبی جدید برای استخراج این نواحی با استفاده از الگوریتم Saliency معرفی میکنیم. الگوریتم مطرح شده نحوه درمان را برای پزشک تسهیل میکند. ما برخی از روشهای ناحیه بندی تصویر را با الگوریتم Saliency ترکیب نمودهایم که از میان آنان* ترکیب الگوریتم ناحیه بندی PCNN و روش پیشنهادی دارای بهترین تشخیص میباشد.
- Сервис wordstat позволяет просматривать статиску запросов на яндексе. Wordstat очень ценный сервис для вебмастеров.
- Lexical semantic relations are useful in a variety of natural language applications, but to collect, update and maintain them by hand is tedious and costly. We experiment with the use of dependency paths, rather than regular expressions, as the formalism for representing patterns that may be indicative of a semantic relation between noun pairs. Our corpus is Wikipedia article abstracts, and we tag our training set using WordNet. We collect frequent dependency paths and using these as features, train two classification algorithms to predict the existence of a semantic relation among noun pairs in the test corpus, which predictions we evaluate using human judgment as the gold standard. Our experiments with hypernymy were successful; those with meronymy less so.
- Description In India today, the sick can choose from a range of medical options, including Western biomedicine, homeopathy, Sanskritic ayurveda, Tamil siddha, Islamic unani, and Gandhian nature cure, among others. This variety might seem surprising, given the rapid globalization of the medicines, institutions, and explanatory apparatus of Western medicine. While penicillin cures many ailments, however, the complexities of human health and medical experience leave much to chance, to cultural interpretations of healing, and to the imagination. Traditional doctors continue to thrive in the modern world, says Richard Weiss, because they employ imaginative resources that speak to the sense of identity, hope, and duty of millions of people. In this book, Weiss seeks to illuminate the present success of traditional doctors by examining the ways that siddha practitioners in Tamil South India have won the trust and patronage of patients. They do this, he shows, by offering affiliation to a timeless and pure community, the fantasy of a Tamil utopia, and even the prospect of immortality. They construct an imaginative, utopian world of a potent and pure Tamil medicine that stands in contrast to the manifest world of contemporary Tamil society, a world in which they vie with biomedical doctors for medical authority and clientele. This imagined world is not idle fantasy, argues Weiss, because it suggests work that Tamils should set for themselves: the recuperation of this utopian world through collecting and systematizing its scattered remains. In other words, siddha doctors hope to merge these two worlds, to reveal the traditional world to modernity, and to make siddha medical knowledge available to public scrutiny. such a merger, they suggest, will reveal to the world the glory of Tamil medicine and culture, which at this point exists most robustly in the hopeful writings of Tamil revivalism.
- {The adaptive significance of adjusting behavioral activities to the right time of the day seems obvious. Laboratory studies implicated an important role of circadian clocks in behavioral timing and rhythmicity. Yet, recent studies on clock-mutant animals questioned this importance under more naturalistic settings, as various clock mutants showed nearly normal diel activity rhythms under seminatural zeitgeber conditions. We here report evidence that proper timing of eclosion, a vital behavior of the fruit fly Drosophila melanogaster, requires a functional molecular clock under quasi-natural conditions. In contrast to wild-type flies, period(01) mutants with a defective molecular clock showed impaired rhythmicity and gating in a temperate environment even in the presence of a full complement of abiotic zeitgebers. Although period(01) mutants still eclosed during a certain time window during the day, this time window was much broader and loosely defined, and rhythmicity was lower or lost as classified by various statistical measures. Moreover, peak eclosion time became more susceptible to variable day-to-day changes of light. In contrast, flies with impaired peptidergic interclock signaling (Pdf(01) and han(5304) PDF receptor mutants) eclosed mostly rhythmically with normal gate sizes, similar to wild-type controls. Our results suggest that the presence of natural zeitgebers is not sufficient, and a functional molecular clock is required to induce stable temporal eclosion patterns in flies under temperate conditions with considerable day-to-day variation in light intensity and temperature. Temperate zeitgebers are, however, sufficient to functionally rescue a loss of PDF-mediated clock-internal and -output signaling}
- {The crystal structures of three similar Hg(II) complexes including the N-(2,5-difluorophenyl)-2- pyrazinecarboxamide ligand were determined by X-ray diffraction. In each structure, the fluorine atoms were involved in different, non-predictable fluorine-based contacts. Quantitative analysis of the potential surface and interaction energy calculations were performed for the different interactions involving fluorine.}
- {Six two-dimensional polymeric complexes of {[}Hg- (L2-F](2)](n),0 1, {[}Hg(L-2,L-5-F](n), 2, {[}Hg(L3-F)(2)](n), 3, {[}Hg(L-2,L-3,L-4-F)(2)](n), 4., {[}Hg(L-3,L-4,L-5-F)(2)](n), 5, and {[}Hg(L-2,L-3,L-4,L-5-F](2)](n), 6 and a discrete complex of {[}Hg(L-2,L-6-F)(2)], 7, in which Ln-F ligands are N-(fluorinatedpheny1)-2pyrazinecarboxamides carrying fluorine atoms on the different positions of phenyl ring, have been synthesized and characterized. The crystal structures from X-ray diffraction reveal that all polymeric complexes have similar two-dimensional (2D) sheet windows. From a topological perspective, each metal atom can be viewed as 4-connected nodes and 0 ligands can be considered as linkers in the formation of these 2D windows. Because of the flexibility of the ligand, fluorinated-phenyl rings as hanging groups in the windows are pointed toward the adjacent groups to generate different fluorine-involved intramolecular interactions. One of the common features in the crystal structures of these complexes is the presence of a strong tendency to form intramolecular F center dot center dot center dot pi interactions in 2D windows of the crystal structure of all polymeric complexes, except complex 3. These interactions are cooperating with weak C-H center dot center dot center dot F and C-H center dot center dot center dot O hydrogen bonds. Also, in the crystal structure of complexes 5 and 6, carrying three and four fluorine atoms on phenyl rings, type II F-F synthons between adjacent rings have been observed in cooperation with F center dot center dot center dot pi interactions. Hirshfeld surface analysis also confirms that the F center dot center dot center dot F/pi contacts are predominant.}
- {An efficient method was developed for the preparation of a new hexaorganostannoxane complex, {[}Me(12)Sn(6)C(l)2(N-3)(2)(DMSO)(2)O-4] (1). The prepared complex was characterized by infrared, H-1, C-13, and Sn-119 NMR spectroscopes and elemental analysis. The structure of 1 was determined by single-crystal X-ray diffraction. Complex 1 was utilized as a precursor for the preparation of SnO2 nanoparticles by direct thermal decomposition at 500 degrees C in air. The nanostructure of SnO2 was characterized by scanning electron microscopy and X-ray powder diffraction. The SnO2 core showed a band gap of similar to 3.91 eV. The SnO2 nanoparticles show stable photoluminescence (PL) with an emission centered at 561 nm.}
- {The condensation of organic salt adducts generated by cyclic thioureas and 2-di(methylsulfanyl)methylenemalononitrile with dialkyl acetylenedicarboxylates selectively leads to either tetrasubstituted thiophenes (2 examples) or hitherto unreported bicyclic guanidine (13 examples) derivatives, with controlling factors being ring size, the substituent on the S- methylisothioureaand the bulk of the substituent on the dialkyl acetylenedicarboxylates. Green solvents, short reaction time; easy purification, high yield and selectivity, are key feature of this protocol in the condensation step. The performances of the reactions in the presence of free-base and a catalyst at room temperature is unprecedented in the synthesis of thiophene frameworks and functionalized bicyclic guanidine scaffolds. (C) 2016 Elsevier Ltd. All rights reserved.}
- {Menthyl 1,4-disubstituted 1,2,3-triazole derivatives of hydroxybenzaldehydes, phenols and bile acids were synthesized via click chemistry. The novel synthesized compounds were evaluated for their in vitro antibacterial activity against Enterococcus faecium, and Staphylococcus aureus as Gram-positive bacteria. Some derivatives illustrated strong inhibitory effect against E. faecium with the minimum inhibitory concentration (MIC) values ranged from 1-3 mu M, where cefixime as a positive control revealed MIC value of 35 mu M. The structures of the synthesized compounds were confirmed by different spectroscopic techniques including H-1-NMR, C-13-NMR, high resolution (HR)-MS, IR and X-ray crystallographic analysis.}
- {A new zinc(II) complex (Mq-H){[}ZnCl2(Mq)]center dot C2H5OH, was prepared and characterized by H-1 NMR, IR, and UV spectroscopy and elemental analysis in addition to single-crystal X-ray diffraction. The nanostructure of the complex was also successfully prepared at room temperature by a facile and environment-friendly sonochemical method. This new nanostructure was characterized by scanning electron microscopy, X-ray powder diffraction, IR spectroscopy, and elemental analysis. The photoluminescence properties of the nanostructured and bulk crystalline of the prepared complex in the solid state were investigated in detail at room temperature. The results indicated that the size of the complex particles has an important effect on the optical properties of it. The nano-zinc(II) complex displayed higher photoluminescence intensity and quantum yield than the zinc(II) complex as single crystal. Both absorption and emission peaks of the nano-complex red shifted significantly in comparison with that of as single crystal.}
- {Fractionation of an n-hexane extract of the aerial parts of Salvia leriifolia led to the isolation of two new (1, 2) and two known (3, 4) labdane diterpenoids, together with three other known compounds. The structures were established by a combination of 1D and 2D NMR, and HRESIMS. The structures of 1 and 3 were confirmed by single-crystal X-ray analysis. The absolute configuration of 1-4 was established by electronic circular dichroism spectroscopy. Compounds 1-4 were evaluated for their cytotoxic activities against MCF-7 human breast cancer cells. Labdanes 3 and 4 were additionally tested against MDA-MB231 human breast cancer and DU-145 human prostate cancer cell lines. Compound 4 showed IC50 values of 25, 50, and 50 mu M against MCF-7, MDA-MB231, and DU-145 cells, respectively. Compounds 1-4 were tested for activity against gram-positive (Staphylococcus aureus) and gram-negative (Escherichia coli) bacteria. Compound 3 showed an MIC of 213 mu M against methicillin-resistant S. aureus.}
- {The one-pot four-component reaction of propargylated benzaldehydes, azide, dimedone, and urazoles in the presence of melamine trisulfonic acid, copper acetate, and sodium ascorbate was used for the synthesis of 1,2,3-triazolylmethoxyphenyl{[}1,2,4]triazoloindazole-1,3,8-trione derivatives as novel compounds.}
- {Treatment of pyridine-2,6-dicarboxylic acid and 2-aminopyrimidine with Co(NO3)(2)a (TM) 6H(2)O under hydrothermal conditions led to a new Co (II) complex {[}Co(amp)(pydc)(H2O)(2)]a (TM) H2O (1), which was characterized by infrared spectroscopy, elemental analysis as well as X-ray diffraction studies. The DNA-binding behavior of the complex has been studied by UV-Vis absorption and fluorescence spectroscopic titration, viscosity measurements, thermal denaturation and circular dichroism (CD). The experimental results indicated that Co (II) complex was bound to DNA by an intercalative mode. The intrinsic binding constant of Co (II) complex with DNA was (3.80 +/- A 0.02) x 10(4) M-1. The biological effects of the Co (II) complex were also studied by MTT assay in MCF-7 and HT-29 cancer cell lines. Treatment of MCF-7 and HT-29 cells with Co (II) complex resulted in a concentration-dependent cell growth inhibition.}
- {A new series of inorganic-organic hybrid materials as sorbents for the adsorption of dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophene (4,6-DMDBT) have been prepared by functionalizing mesoporous silica with 9,10-anthraquinone derivatives. A selected sorbent was fully characterized via C-13 and 29Si cross-polarization magic-angle solid-state nuclear magnetic resonance (CP-MAS NMR), FTIR spectroscopy, powder X-ray diffraction (PXRD) and thermal analysis (TGA-DTA). The prepared materials were used to adsorb DBT and 4,6-DMDBT from C-7 hydrocarbons under ambient conditions. The results show that the hybrid material prepared by the functionalization of mesoporous silica with 9,10-dioxo-5-((3-(triethoxysilyl)-propyl) amino)-1,5-dichloro-4,8-dinitroanthraquinone is an efficient and regenerable sorbent for adsorption of DBT and 4,6-DMDBT by pi-pi interaction. To demonstrate the adsorption of DBT and 4,6-DMDBT through p-p interaction, a charge-transfer complex (CTC) of 1,5-dichloro-4,8-dinitroanthraquinone and 4,6-DMDBT was prepared and characterized by FT-IR, H-1 and C-13 NMR spectroscopy, MS, TGA-DTA and single-crystal X-ray diffraction. The results show that 1,5-dichloro-4,8-dinitroanthraquinone produces a CTC with 4,6-DMDBT, and when it is grafted on Si-MCM-41, it produces a hybrid material with the capability of adsorbing only aromatic DBT and 4,6-DMDBT rather than anthracene, naphthalene and xylene. In contrast, 1,5-dichloroanthraquinone and 1,5-dicyanoanthraquinone neither produce a CTC nor adsorb DBT, 4,6-DMDBT, anthracene, naphthalene and xylene after they are grafted on Si-MCM-41. This study proves that the hybrid material prepared from mesoporous silica and 9,10-dioxo-5-((3-(triethoxysilyl)-propyl) amino)-1,5-dichloro-4,8-dinitroanthraquinone is an efficient, environmentally benign and regenerable sorbent for the removal of DBT and 4,6-DMDBT from C7 hydrocarbons.}
- {In this report, research on pi-stacking synthon repetitivity and the effect of substituents in the crystal structures of HgX2 complexes of N-(1-chloro/bromo-naphthalen-4-yl)pyrazine-2-carboxamide ligands is described. Structural analysis shows that these compounds have almost the same propensity for the formation of pi-pi interactions in supramolecular crystal structures.}
- {A series of four new manganese(II) complexes based on the L4-X ligand, where L is N-(4-halo)phenyl picolinamide ligands, have been synthesized, characterized and their supramolecular crystal structures were studied by geometrical analysis and theoretical calculation. Our study reveals the role of weak intermolecular interactions involving halogens, such as C-H center dot center dot center dot X hydrogen bonds (in the cases of 1 and 2) and C-X center dot center dot center dot X'-M halogen bonds (in the cases of 3 and 4), in the structural changes of supramolecular assemblies of coordination compounds. This study could provide further insight into discovering the role of weak intermolecular interactions in the context of metallosupramolecular assembly.}
- {The effect of intermolecular interactions on the conformational variety of flexible mono-dentate ligands in coordination compounds has been investigated through the preparation of two series of mercury(II) complexes. In this regard, the molecular and structural architecture of eight complexes, {[}HgCl2(Lamide-Cl)(2)] (1), {[}HgCl2(Lamide-Br)(2)] (2), {[}HgBr2(Lamide-Br)(2)] (3), and {[}HgI2(Lamide-Br)(2)] (4), as the first series and {[}HgBr2(Limine-Cl)(2)] (5), {[}HgBr2(Limine-Br)(2)] (6), {[}HgI2(Limine-Cl)](n) (7), and {[}HgI2(Limine-Br)](n) (8), as the second series, using two kind of flexible ligands, N-(1-halonaphthalen-4-yl) nicotinamide, Lamide-X, and 4-halo-N-(( pyridin-3-yl) methylene) naphthalen-1-amine, Limine-X, has been studied. Inspection of the packing of these compounds clearly shows the presence of conformational changes in the arrangement of the ligands in each series. Although there are slight differences between the crystal packing of these compounds, it seems that pi-involving intermolecular interactions including pi(naph)center dot center dot center dot pi(naph) in the first series and pi(imine)center dot center dot center dot pi(py/naph) in the second series with the cooperation of Hg center dot center dot center dot pi(py) can lock the ligand conformational variety to a single conformer.}
- {A new mercury(II) bromide coordination polymer of anthranilic acid (Ant), \{{[}Hg-2((2)-Br)(3)((3)-Br)(Ant)].{[}Ant]\}(n), was synthesized and characterized. The structure determination revealed that coordinated and noncoordinated forms of anthranilic acid create strong hydrogen bonding via carboxylate groups as a supramolecular R-2(2)(8) homosynthon. Because of the existence of a rare coordination mode of ligand, theoretical calculations on the stability of the fragment models of {[}Hg6Br12(Ant)(2)](Ant)(2) (with synthon) and Hg6Br12(Ant)(2) (without synthon) have been performed using density functional theory. The results showed that the robust homosynthon has the important role on the stabilization of structure with the scarce binding mode of ligand.}
- {A synthetic route to obtain crystalline aluminum phenoxide was established. Its molecular structure in solid-state and solution is unambiguously determined by single-crystal X-ray diffraction and H-1, C-13 and Al-27 NMR spectroscopy. The single-crystal X-ray analysis revealed the presence of the dimeric THF adduct {[}Al(OPh)(3)center dot THF](2) with a disordered trigonal bipyramidal geometry at the aluminum atom which is bonded to a THF ligand, two terminal and two bridging phenoxy groups (OPh). The solution behavior of the title compound was investigated by Al-27 NMR in non-coordinating (CDCl3) as well as coordinating (THF) solvents at different temperatures. The obtained results indicate the presence of four- and five-coordinate species in solution. (C) 2016 Elsevier B.V. All rights reserved.}
- {In this Communication, the modulation of halogen bonding synthons in the crystal structure of {[}HgBr2(L-3,L-4-diCl)] from {[}HgBr2(L3-Cl)] and {[}HgBr2(L4-Cl)], as single components, where L is a N-(chlorinatedphenyl)-2-pyrazinecarboxamide ligand, has been investigated. Reviewing the crystal packing reveals that Cl center dot center dot center dot N and Cl center dot center dot center dot Br halogen bonds stood as a remembrance of-the crystal structures of single components in the packing of {[}HgBr2((3,4-diCl))].}
- {Ruthenium-catalyzed hydroamination of alkenes and alkynes with substituted anilines in the presence of various phosphine ligands have been investigated and catalyst activity and selectivity is improved. Ruthenium(II) complexes of diphenylphosphinomethane, diphenylphosphinoethane, diphenylphosphinopropane, diphenylphosphinobutane and diphenylphosphinopentane showed 50-90 \% conversion under mild conditions. The effect of diphosphine ligands, substituent groups on anilines and reaction condition on the selectivity of hydroamination reaction were studied and the possible reaction mechanism was discussed. The reaction products were monitored by GC-MS and a mechanism for the hydroamination of alkenes and alkynes by ruthenium diphosphine complexes was proposed and discussed. The structures of two new complexes, C49H58Cl4P2Ru2 and C35H36Cl2P2Ru, as hydroamination catalysts were determined by X-ray crystallography.}
- {Two new tetrahedral Co(II) complexes, {[}Co(dmphen)Cl-2)] (1) and {[}Co(ph(2)dmphen)Cl-2](2)center dot CHCl3 (2), (where dmphen = 2,9-dimethyl-1,10-phenanthroline, or neocuproine and ph(2)dmphen = 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline, or bathoneocuproine) were synthesized and characterized by elemental analysis, and by IR, UV-visible and H-1 NMR spectroscopy. Single-crystal X-ray diffraction study of the two compounds revealed analogous tetrahedral arrangements of the ligands around the cobalt(II) ion. Measurement of magnetic susceptibility (chi = 2.31 x 10(-5) and 6.96 x 10(-6)) of 1 and 2 by H-1 NMR spectroscopy (Evans method) revealed their magnetic moments were 4.32 and 4.29 BM, respectively, which also suggests tetrahedral coordination in the two complexes, with S = 3/2.}
- {The reactions of alpha-keto stabilized sulfonium ylide (Me)(2)SCHC(O)C6H4-m-NO2 (Y-1) with HgX2 {[}X=Cl (1), Br (2) and I (3)] in equimolar ratios and CdCl2.H2O (4) in 1:2 molar ratio using methanol as a solvent lead to binuclear Hg(II) complexes and a polymeric Cd(II) organic-inorganic hybrid. Furthermore, from the reaction of sulfonium ylides (Y-1), (Me)(2)SCHC(O)C6H4-p-NO2 (Y-2), and (Me)(2)SCHC(O)C6H4-p-OMe (Y-3) with AgTfO in 2: 1 molar ratio using dichloromethane as a solvent, {[}Ag(Y-n)(2)]TfO {[}n = 1 (5), n = 2 (6), n = 3 (7)] complexes were obtained. Single crystal X-ray diffraction analysis reveals the presence of linear structure for 5. Characterization of the obtained compounds was also performed by elemental analysis, IR, H-1-NMR, and C-13-NMR.}
- {A novel binuclear Mn(II) complex based on a para-nitro substituted amidicligand (N-(4-nitrophenyl)picolinamide) has been synthesized and characterized by X-ray crystallography. This complex shows a high degree of conversion and epoxide selectivity in Mukaiyama aerobic epoxidation reactions of cyclic olefins in mild conditions. (C) 2015 Elsevier B.V. All rights reserved.}
- {Some new complexes of {[}NiL(PR3)] (where L = (E)-1-{[}(2-amino-5-nitrophenyl)iminio-methyl]naphthal ene-2-olate (L-1), (E)-1-{[}(2-hydroxiphenyl)iminio-methyl]naphthalene-2-olate (L-2), R = Bu and Ph) containing tridentate ONN and ONO Schiff bases were synthesized and characterized by IR, UV-Vis, H-1-NMR spectroscopy and elemental analysis. The geometry of {[}NiL1(PBu3)] and {[}NiL2(PBu3)] complexes were determined by X-ray crystallography. It was indicated that the complexes have a square planar structure and four coordinates in the solid state. Theoretical calculations were also performed to optimize the structures of the ligands and complexes in the gas phase and ethanol solvent, separately to confirm the structures proposed by X-ray crystallography. In addition, UV-Visible and IR spectra of the complexes were calculated and compared with the corresponding experimental spectra to complete the experimental structural identification. (c) 2015 Elsevier B.V. All rights reserved.}
- {Two new triterpenoids, urmiensolide B (1) and urmiensic acid (2), with rare carbon skeletons together with three known compounds were isolated from the aerial parts of Salvia urmiensis Bunge, an endemic species of Iran. The structures were established by a combination of 1D and 2D NMR, and HRESIMS, and in the case of 2 and 3, their structures were confirmed by single-crystal X-ray analysis. The absolute configuration of 2 was established by electronic circular dichroism (ECD) spectra. The new compounds were evaluated for their anti-proliferative activities against A549 and MCF-7 human cancer cell lines. Compounds 1 and 2 showed IC50 values of 2.8 and 1.6 mu M against MCF-7 cells, respectively. (C) 2015 Elsevier B.V. All rights reserved.}
- {The protection of stainless-steel implants by applying a hybrid organic-inorganic coating generates a barrier for ion migration and a potential holder for functional particles. Chemical composition of bioactive silicate-glasses (BG) can be varied to tailor their rate of dissolution in the biological environment. The substitution of calcium by strontium (Sr) generates a locally-controlled release of Sr-ions to the media. Strontium is known to reduce bone resorption and stimulate bone formation. This work presents coatings made by sol-gel method containing tetraethoxysilane, methyl-tiethoxysilane and silica nanoparticles as precursors, and functionalized either with BG or Sr-substituted BG particles onto surgical grade stainless steel. The coated implants were tested in vitro for corrosion resistance and bioactivity, and in vivo to analyze bone formation. The applied coating system provided an excellent protection to aggressive fluids, even after 30 days of immersion. The presence of hydroxyapatite is shown, as a first evidence of bioactivity. The evaluation of in vivo tests in Wistar-Hokkaido rat femur 4 or 8 weeks after the implantation showed slight differences in the thickness of newly formed bone measured by ESEM, and remarkable changes in bone quality characterized with Raman microscopy. The in vivo response of the coatings containing Sr-substituted bioglass is better at early times of implantation as regards the bone morphology and quality making this functionalized coatings a very promising option for implant protection and bone regeneration. (C) 2015 Elsevier B.V. All rights reserved.}
- {The Suzuki-Miyaura reaction of various aryl halides with aryl boronic acids using \{{[}Ph2PCH2PPh2CH=C(O)(C10H7)]PdCl2\} as a catalyst has been investigated. The X-ray crystal structure of the catalyst reveals a five-membered chelate ring formed by coordination of the ligand through the phosphine group and the ylidic carbon atom to the metal center. This palladacycle exhibited excellent activities and reusability in the aqueous phase for the Suzuki cross-coupling reactions of arylboronic acids with aryl halides. The proposed protocol featured mild reaction conditions and notable simplicity and efficiency using Cs2CO3 as a base in water. The catalytic system could be reused four times without significant loss of activity.}