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Molbank ◽  
10.3390/m1315 ◽  
2022 ◽  
Vol 2022 (1) ◽  
pp. M1315
Author(s):  
Boris V. Lichitsky ◽  
Andrey N. Komogortsev ◽  
Valeriya G. Melekhina

A simple and efficient protocol for the synthesis of the previously unknown 2-(2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl)acetic acid was elaborated. The suggested method is based on the telescoped multicomponent reaction of 8-hydroxyquinoline, 4-methylglyoxal, and Meldrum’s acid. The studied process includes the initial interaction of the starting compounds in MeCN followed by intramolecular cyclization to the target product in refluxing acetic acid. The advantage of this approach is the application of readily available starting materials, atom economy, and a simple work-up procedure. The structure of the synthesized furylacetic acid derivative was proven by 1H, 13C, 2D-NMR, IR spectroscopy, and high-resolution mass spectrometry.


2021 ◽  
Author(s):  
Mustafa Elhag ◽  
Abdelrahman Hamza Abdelmoneim ◽  
Anfal Osama Sati ◽  
Moaaz Mohammed Saadaldin ◽  
Nagla Mohammad Ahmad ◽  
...  

Brucella abortus is a small aerobic, non-spore-forming, non-motile intracellular coccobacilli localized in the reproductive organs of host animals and causes acute or chronic disorders. It infects approximately 200 cases per 100,000 of the population and has become endemic in many countries. OmpW family protein is an outer membrane protein involved in the initial interaction between the pathogen and its host. This study predicts an effective epitope-based vaccine against OmpW family protein of Brucella abortus using immunoinformatics tools. Sequences were obtained from NCBI and prediction tests were accomplished to analyze possible epitopes for B and T cells. Seven B cell epitopes passed the antigenicity, accessibility and hydrophilicity tests. Forty-three MHC I epitopes were the most promising, while 438 from MHC II. For the population coverage, the epitopes covered 99.97% of the alleles worldwide excluding certain MHC II alleles. We recommend invivo and invitro studies to prove its effectiveness.


Molbank ◽  
10.3390/m1304 ◽  
2021 ◽  
Vol 2021 (4) ◽  
pp. M1304
Author(s):  
Boris V. Lichitsky ◽  
Andrey N. Komogortsev ◽  
Valeriya G. Melekhina

For the first time, we describe a new approach towards the synthesis of previously unknown 2-(2-(4-methoxyphenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-3-yl)acetic acid. The presented method is based on the multicomponent condensation of 5-hydroxy-4,7-dimethyl-2H-chromen-2-one, 4-methoxyphenylglyoxal and Meldrum’s acid. It was shown that the studied reaction proceeds in two steps including the initial interaction of starting materials in MeCN and the final formation of furylacetic acid moiety in acidic media. The structures of the obtained compound were established by 1H, 13C-NMR spectroscopy and high-resolution mass spectrometry.


2021 ◽  
Vol 49 (18) ◽  
pp. 10589-10603 ◽  
Author(s):  
Inam Ul Haq ◽  
Sabine Brantl ◽  
Peter Müller

Abstract SR1 is a dual-function sRNA from Bacillus subtilis. It inhibits translation initiation of ahrC mRNA encoding the transcription activator of the arginine catabolic operons. Base-pairing is promoted by the RNA chaperone CsrA, which induces a slight structural change in the ahrC mRNA to facilitate SR1 binding. Additionally, SR1 encodes the small protein SR1P that interacts with glyceraldehyde-3P dehydrogenase A to promote binding to RNase J1 and enhancing J1 activity. Here, we describe a new target of SR1, kinA mRNA encoding the major histidine kinase of the sporulation phosphorelay. SR1 and kinA mRNA share 7 complementary regions. Base-pairing between SR1 and kinA mRNA decreases kinA translation without affecting kinA mRNA stability and represses transcription of the KinA/Spo0A downstream targets spoIIE, spoIIGA and cotA. The initial interaction between SR1 and kinA mRNA occurs 10 nt downstream of the kinA start codon and is decisive for inhibition. The sr1 encoded peptide SR1P is dispensable for kinA regulation. Deletion of sr1 accelerates sporulation resulting in low quality spores with reduced stress resistance and altered coat protein composition which can be compensated by sr1 overexpression. Neither CsrA nor Hfq influence sporulation or spore properties.


2021 ◽  
Vol 9 (9) ◽  
pp. 1864
Author(s):  
Shu-Fang Chiu ◽  
Po-Jung Huang ◽  
Wei-Hung Cheng ◽  
Ching-Yun Huang ◽  
Lichieh Julie Chu ◽  
...  

The three most common sexually transmitted infections (STIs) are Chlamydia trachomatis (CT), Neisseria gonorrhoeae (GC) and Trichomonas vaginalis (TV). The prevalence of these STIs in Taiwan remains largely unknown and the risk of STI acquisition affected by the vaginal microbiota is also elusive. In this study, a total of 327 vaginal swabs collected from women with vaginitis were analyzed to determine the presence of STIs and the associated microorganisms by using the BD Max CT/GC/TV molecular assay, microbial cultures, and 16S rRNA sequencing. The prevalence of CT, TV, and GC was 10.8%, 2.2% and 0.6%, respectively. A culture-dependent method identified that Escherichia coli and Streptococcus agalactiae (GBS) were more likely to be associated with CT and TV infections. In CT-positive patients, the vaginal microbiota was dominated by L. iners, and the relative abundance of Gardnerella vaginalis (12.46%) was also higher than that in TV-positive patients and the non-STIs group. However, Lactobacillus spp. was significantly lower in TV-positive patients, while GBS (10.11%), Prevotella bivia (6.19%), Sneathia sanguinegens (12.75%), and Gemella asaccharolytica (5.31%) were significantly enriched. Using an in vitro co-culture assay, we demonstrated that the growth of L. iners was suppressed in the initial interaction with TV, but it may adapt and survive after longer exposure to TV. Additionally, it is noteworthy that TV was able to promote GBS growth. Our study highlights the vaginal microbiota composition associated with the common STIs and the crosstalk between TV and the associated bacteria, paving the way for future development of health interventions targeting the specific vaginal bacterial taxa to reduce the risk of common STIs.


Author(s):  
Marcos V. Palmeira-Mello ◽  
Ana B. Caballero ◽  
Aida Lopez-Espinar ◽  
Guilherme P. Guedes ◽  
Amparo Caubet ◽  
...  

AbstractTwo square-planar coordination compounds, namely [Cu(CPYA)Cl2] (1) and [Pd(CPYA)Cl2] (2), were prepared from the ligand 4-chloro-N-(pyridin-2-ylmethyl)aniline (CPYA) and two chloride salts, and were fully characterized, including by X-ray diffraction. Spectroscopic, electrophoretic and AFM studies revealed that the two isostructural compounds were interacting differently with DNA. In both cases, the initial interaction involves electrostatic contacts of the CPYA ligand in the minor groove (as suggested by molecular docking), but subsequent strong binding occurs with the palladium(II) complex 2, whereas the binding with the copper complex 1 is weaker and concentration dependent. The strong binding of 2 eventually leads to the cleavage of the double strand and the redox activity of 1 allows to oxidatively cleave the biomolecule. Graphic abstract


2021 ◽  
Author(s):  
Sebastien CARDON ◽  
Gerard BOLBACH ◽  
Yadira P HERVIS ◽  
Chrystel LOPIN-BON ◽  
Jean-Claude JACQUINET ◽  
...  

Engrailed-2 (En2) is a transcription factor that possesses as most homeoproteins the unique and intriguing property to transfer from cell to cell through unconventional pathways. The internalization mechanism of this cationic protein is far from being fully understood and is proposed to require an initial interaction with cell-surface glycosaminoglycans (GAGs). To decipher the role of GAGs in the recognition of En2 at the cell surface, we have quantified the internalization of the homeodomain region in cell lines that differ in their content in cell-surface GAGs. The binding specificity to GAGs and the influence of this interaction on the structure and dynamics of En2 was also investigated at the amino acid level. Our results show that a high-affinity GAG-binding hexadecapeptide (RKPKKKNPNKEDKRPR) located upstream of the homeodomain controls internalization efficiency of En2 through selective interactions with highly-sulfated GAGs of heparan sulfate type. Our data underline the functional importance of the intrinsically disordered basic region that precedes the prominent internalization domain in En2, and demonstrate the critical role of GAGs as an entry gate for En2, finely tuning its capacity to internalize into cells.


Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 992
Author(s):  
Raasti Naseem ◽  
Charalampos Tzivelekis ◽  
Matthew J. German ◽  
Piergiorgio Gentile ◽  
Ana M. Ferreira ◽  
...  

Polyester-based materials are established options, regarding the manufacturing of bone fixation devices and devices in routine clinical use. This paper reviews the approaches researchers have taken to develop these materials to improve their mechanical and biological performances. Polymer blending, copolymerisation, and the use of particulates and fibre bioceramic materials to make composite materials and surface modifications have all been studied. Polymer blending, copolymerisation, and particulate composite approaches have been adopted commercially, with the primary focus on influencing the in vivo degradation rate. There are emerging opportunities in novel polymer blends and nanoscale particulate systems, to tune bulk properties, and, in terms of surface functionalisation, to optimise the initial interaction of devices with the implanted environment, offering the potential to improve the clinical performances of fracture fixation devices.


Author(s):  
Clément Bonnerot ◽  
Wenbin Lu ◽  
Philip F Hopkins

Abstract When a star comes too close to a supermassive black hole, it gets torn apart by strong tidal forces in a tidal disruption event, or TDE. Half of the elongated stream of debris comes back to the stellar pericenter where relativistic apsidal precession induces a self-crossing shock. As a result, the gas gets launched into an outflow that can experience additional interactions, leading to the formation of an accretion disc. We carry out the first radiation-hydrodynamics simulations of this process, making use of the same injection procedure to treat the self-crossing shock as in our previous adiabatic study. Two sets of realistic parameters of the problem are considered that correspond to different strengths of this initial interaction. In both cases, we find that the injected matter has its trajectories promptly circularized by secondary shocks taking place near the black hole. However, the generated internal energy efficiently diffuses away in the form of radiation, which results in a thin vertical profile of the formed disc. The diffusing photons promptly irradiate the surrounding debris until they emerge with a bolometric luminosity of $L\approx 10^{44} \, \rm erg\, s^{-1}$. Towards the self-crossing shock, diffusion is however slowed that results in a shallower luminosity increase, with a potentially significant component in the optical band. Matter launched to large distances continuously gains energy through radiation pressure, which can cause a significant fraction to become unbound. This work provides direct insight into the origin of the early emission from TDEs, which is accessed by a rapidly increasing number of observations.


2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Alexa S. Clerke ◽  
Erin A. Heerey

Research on trust development has generally focused on how similarities between people influence trust allocation. However, similarity in interests and beliefs, which underpins trust development and may be critical to relationship success, is seldom apparent upon initial interaction and thus may not be a primary predictor of initial trust decisions. Here we ask how mimicry, a visible social cue, affects trust decisions alongside similarity. We used a “chat-room” style task to independently manipulate the degree to which participants were similar to a set of avatars and the degree to which those avatars displayed mimicry. We then assessed trust decisions in both financial and social domains. Our results show that together with similarity, mimicry is an important independent predictor of trust decisions. This work has implications for understanding how and when trust is allocated, as well how to facilitate successful interactions.


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