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2021 ◽  
Vol 116 ◽  
pp. 105292
Thiago A. Grigolo ◽  
Carolyne B. Braga ◽  
Catia Ornelas ◽  
Dennis Russowsky ◽  
Guilherme A. Ferreira-Silva ◽  

Life Sciences ◽  
2021 ◽  
Vol 286 ◽  
pp. 120022
Mahban Rahimifard ◽  
Hamed Haghi-Aminjan ◽  
Mahmoudreza Hadjighassem ◽  
Razieh Pourahmad Jaktaji ◽  
Zeinab Bagheri ◽  

Chemistry ◽  
2021 ◽  
Vol 3 (4) ◽  
pp. 1203-1214
Garrett D. Jackson ◽  
Max B. Tipping ◽  
Christopher G. P. Taylor ◽  
Jerico R. Piper ◽  
Callum Pritchard ◽  

New synthetic routes are presented to derivatives of a (known) M8L12 cubic coordination cage in which a range of different substituents are attached at the C4 position of the pyridyl rings at either end of the bis(pyrazolyl-pyridine) bridging ligands. The substituents are (i) –CN groups (new ligand LCN), (ii) –CH2OCH2–CCH (containing a terminal alkyne) groups (new ligand LCC); and (iii) –(CH2OCH2)3CH2OMe (tri-ethyleneglycol monomethyl ether) groups (new ligand LPEG). The resulting functionalised ligands combine with M2+ ions (particularly Co2+, Ni2+, Cd2+) to give isostructural [M8L12]16+ cage cores bearing 24 external functional groups; the cages based on LCN (with M2+ = Cd2+) and LCC (with M2+ = Ni2+) have been crystallographically characterised. The value of these is twofold: (i) exterior nitrile or alkene substituents can provide a basis for further synthetic opportunities via ‘Click’ reactions allowing in principle a diverse range of functionalisation of the cage exterior surface; (ii) the exterior –(CH2OCH2)3CH2OMe groups substantially increase cage solubility in both water and in organic solvents, allowing binding constants of cavity-binding guests to be measured under an increased range of conditions.

2021 ◽  
Vol 19 (9) ◽  
pp. 117-125
Sabrean Farhan Jawad ◽  
Dr. Nagham Mahmood Aljamali

Cancerous tumors are considered a serious and fatal diseases for both sexes and for all ages, even fetuses before their birth. Therefore, it has become necessary to find an alternative treatment for radiation to be safer and less dangerous than chemical treatments. Therefore, derivatives of one of the amino acids, such as tyrosine, were prepared. Tyrosine or tyrosine is one of the well-known and important amino acids for humans, and it is present in most proteins; The human body uses it to produce several types of hormones such as noradrenaline and adrenaline. In this paper, we prepared new derivatives of tyrosine represented by (four, five, six)-membered ring, then all these new tyrosine derivatives investigated by several techniques (FT.IR, H.NMR)–spectrophotometric, other physical and chemical properties, with assaying for some new created derivatives as anti-cancer.

Biomolecules ◽  
2021 ◽  
Vol 11 (10) ◽  
pp. 1499
Cornelia Roesl ◽  
Elizabeth R. Evans ◽  
Kosala N. Dissanayake ◽  
Veronika Boczonadi ◽  
Ross A. Jones ◽  

Live imaging of neuromuscular junctions (NMJs) in situ has been constrained by the suitability of ligands for inert vital staining of motor nerve terminals. Here, we constructed several truncated derivatives of the tetanus toxin C-fragment (TetC) fused with Emerald Fluorescent Protein (emGFP). Four constructs, namely full length emGFP-TetC (emGFP-865:TetC) or truncations comprising amino acids 1066–1315 (emGFP-1066:TetC), 1093–1315 (emGFP-1093:TetC) and 1109–1315 (emGFP-1109:TetC), produced selective, high-contrast staining of motor nerve terminals in rodent or human muscle explants. Isometric tension and intracellular recordings of endplate potentials from mouse muscles indicated that neither full-length nor truncated emGFP-TetC constructs significantly impaired NMJ function or transmission. Motor nerve terminals stained with emGFP-TetC constructs were readily visualised in situ or in isolated preparations using fibre-optic confocal endomicroscopy (CEM). emGFP-TetC derivatives and CEM also visualised regenerated NMJs. Dual-waveband CEM imaging of preparations co-stained with fluorescent emGFP-TetC constructs and Alexa647-α-bungarotoxin resolved innervated from denervated NMJs in axotomized WldS mouse muscle and degenerating NMJs in transgenic SOD1G93A mouse muscle. Our findings highlight the region of the TetC fragment required for selective binding and visualisation of motor nerve terminals and show that fluorescent derivatives of TetC are suitable for in situ morphological and physiological characterisation of healthy, injured and diseased NMJs.

2021 ◽  
Vol 13 ◽  
Henning Andersen

The article adds two Proto-Slavic derivatives of the Proto-Indo-European word for ‘fire’ to a small number of other, already identified derivatives (§1). Detailed phonological and morphological analysis of the words for ‘bat; moth, butterfly’ establish PS *netopyŕĭ ‘bat’ and PS *netopyŕĭ, *netŭpyŕĭ ‘moth (> butterfly), which support a Pre-Proto- Slavic (PPS) *[nekt-i+pūr]-ja- ‘[night-time fire] one’. Semantic interpretation posits the social and ecological context for the divergent nominations ‘bat’ and ‘nocturnal moth’. The variant word shapes and meanings of these lexemes defined intersecting isoglosses at the time of the Slavic Expansion (§§2–3). Similar analysis of PS *ǫpyŕĭ ‘revenant, monster’ supports the reconstruction PPS *[un-pūr]-ja- ‘[without fire] one’. Its semantic interpretation is based on the Slavic folk belief that the untimely dead were in the power of evil forces and were tools of evil. In pre-Christian times they were denied the pyre, they were ‘without fire’. This belief long survived the introduction of Christianity and its abolition of cremation and obligatory burial (§§4–5). The conclusion (§6) comments on the remarkable archaisms in these ancient lexemes, which were coined thousands of years ago: PPS *nekt- ‘night’ (cf. Hittite), *un- ‘no, without’ (cf. Germanic), and *pūr- ‘fire’ (cf. West Baltic).

2021 ◽  
Vol 5 (4) ◽  
pp. 165
Mohamed Abdelhakem ◽  
Toqa Alaa-Eldeen ◽  
Dumitru Baleanu ◽  
Maryam G. Alshehri ◽  
Mamdouh El-Kady

An efficient technique, called pseudo-Galerkin, is performed to approximate some types of linear/nonlinear BVPs. The core of the performance process is the two well-known weighted residual methods, collocation and Galerkin. A novel basis of functions, consisting of first derivatives of Chebyshev polynomials, has been used. Consequently, new operational matrices for derivatives of any integer order have been introduced. An error analysis is performed to ensure the convergence of the presented method. In addition, the accuracy and the efficiency are verified by solving BVPs examples, including real-life problems.

2021 ◽  
Vol 3 ◽  
Philipp Rehner ◽  
Gernot Bauer

The calculation of derivatives is ubiquitous in science and engineering. In thermodynamics, in particular, state properties can be expressed as derivatives of thermodynamic potentials. The manual differentiation of complex models can be tedious and error-prone. In this work, we revisit dual and hyper-dual numbers for the calculation of exact derivatives and show generalizations to higher order derivatives and derivatives with respect to vector quantities. The methods described in this paper are accompanied by an open source Rust implementation with Python bindings. Applications of the generalized (hyper-) dual numbers are given in the context of equation of state modeling and the calculation of critical points.

2021 ◽  
pp. 1-14
Parisa Gholamirad ◽  
Morteza Rouhani

A computational study about the effect of BX3 (X = H, F, Cl and Br) interaction in C–H acidity enhancement of some aldehyde, ketone and imine molecules is performed by B3LYP/6- 311++G(d,p) method in gas phase. The boron derivatives of model molecules show more acidity in comparison with their pure forms. This acidity improvement is attributed to the effective interaction of the C = O/C = N group with the B atom of BX3. The acidity enhancement is according to the BBr3 >  BCl3 >  BF3 >  BH3 order which shows that boron compounds with electron withdrawing groups and especially BBr3 can be used as an effective and promising C–H activator in various organic reactions.

2021 ◽  
Yimou Luo ◽  
Xiaotong Li ◽  
Qi Huang

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