All good things come in threes: first example of a trimorphic, ternary molecular salt complex

CrystEngComm ◽  
2020 ◽  
Vol 22 (37) ◽  
pp. 6091-6095
Author(s):  
Andreas Lemmerer

A ternary complex made up of trinitrobenzene, 2-aminopyridinium and 9-anthracenecarboxylate crystallizes out in three polymorphic forms, giving yellow, orange and red coloured crystals.




Author(s):  
Douglas L. Dorset ◽  
Andrew K. Massalski

Matrix porin, the ompF gene product of E. coli, has been the object of a electron crystallographic study of its pore geometry in an attempt to understand its function as a membrane molecular sieve. Three polymorphic forms have been found for two-dimensional crystals reconstituted in phospholipid, two hexagonal forms with different lipid content and an orthorhombic form coexisting with and similar to the hexagonal form found after lipid loss. In projection these have been shown to retain the same three-fold pore triplet geometry and analyses of three-dimensional data reveal that the small hexagonal and orthorhombic polymorphs have similar structure as well as unit cell spacings.



Author(s):  
Parth Sarthi Sen Gupta ◽  
Satyaranjan Biswal ◽  
Saroj Kumar Panda ◽  
Abhik Kumar Ray ◽  
Malay Kumar Rana

<p>While an FDA approved drug Ivermectin was reported to dramatically reduce the cell line of SARS-CoV-2 by ~5000 folds within 48 hours, the precise mechanism of action and the COVID-19 molecular target involved in interaction with this in-vitro effective drug are unknown yet. Among 12 different COVID-19 targets studied here, the RNA dependent RNA polymerase (RdRp) with RNA and Helicase NCB site show the strongest affinity to Ivermectin amounting -10.4 kcal/mol and -9.6 kcal/mol, respectively. Molecular dynamics of corresponding protein-drug complexes reveals that the drug bound state of RdRp with RNA has better structural stability than the Helicase NCB site, with MM/PBSA free energy of -135.2 kJ/mol, almost twice that of Helicase (-76.6 kJ/mol). The selectivity of Ivermectin to RdRp is triggered by a cooperative interaction of RNA-RdRp by ternary complex formation. Identification of the target and its interaction profile with Ivermectin can lead to more powerful drug designs for COVID-19 and experimental exploration. </p>



Author(s):  
E. Ryazanova ◽  
V. Barannikov ◽  
V. Khokhryakova ◽  
L. Kirichenko ◽  
S. Selivanova

Currently, medical technologies based on natural factors are widely used in practical health care, including the effect of the medicinal properties of the mineral silvinite (natural potassium salts of the Verkhnekamsk Deposit) on the patient’s body. However, there is no regulatory framework for sanitary control of such devices. The aim of the study was to develop methodological approaches to the hygienic assessment of silvinite complexes. The analysis of the current regulations used in carrying out hygienic supervision and preventive measures in the salt structures that are part of the silvinite complexes is carried out. Based on long-term hygienic studies of silvinite structures by the salt treatment Center of Perm medical University. academician E. A. Wagner together with LLC NPK «Medical climate» (Tchaikovsky) developed and implemented sanitary and hygienic requirements for the created salt complexes. It is a complex of structural divisions, including the place of stay and treatment of patients, as well as the salt device. All units must meet the requirements of current sanitary rules and regulations. It is necessary to conduct a thorough survey of the location of the future salt complex. Optimal conditions of the internal environment in silvinite structures are determined by a special air preparation system consisting of air conditioning and cleaning of the external air using a filter-saturator. The special hygienic requirements of the sylvinite furniture in the room, the decoration of walls, ceilings and floors. The room must be equipped with radio equipment and a video camera for monitoring patients. Full expanded hygienic control of the parameters of the medical environment of silvinite premises should be carried out at least once a year according to the following indicators: microclimate parameters, content of multicomponent fine salt aerosol, aeroionic composition of the air environment, radiation background, microbial contamination of the internal environment, noise and light levels. Thus, increasing the use of salt therapy requires further research to improve the sanitary and hygienic control of silvinite complexes.



1993 ◽  
Vol 58 (5) ◽  
pp. 1103-1108 ◽  
Author(s):  
Mohamed M. Shoukry ◽  
Eman M. Shoukry

The formation constants of the binary and ternary complexes of palladium(II) with diethylenetriamine and amino acids as ligands have been determined potentiometrically at 25 °C in 0.1 M NaNO3 solution. The relative stability of each ternary complex was compared with that of the corresponding binary complexes in terms of ∆logK values. The mode of chelation was ascertained by conductivity measurements.



2019 ◽  
Vol 99 (1) ◽  
pp. 51-59 ◽  
Author(s):  
J. Qi ◽  
Z. Zihang ◽  
J. Zhang ◽  
Y.M. Park ◽  
D. Shrestha ◽  
...  

Periodontitis is positively linked to cardiovascular disease (CVD), diabetes, cancer, and increased mortality. Empirically derived clusters of IgG antibodies against 19 selected periodontal microorganisms have been associated with hyperglycemia. We further investigated associations between these serum IgG antibody clusters and all-cause and CVD mortality in a representative US population. Participants free of CVD and cancer and aged ≥40 y at baseline ( N = 6,491) from the Third National Health and Nutrition Examination Survey (1988 to 1994) were followed up until December 31, 2011. Antibodies were categorized into 4 clusters: red-green, orange-red, yellow-orange, and orange-blue. Over a 23-y follow-up, 2,702 deaths occurred, including 810 CVD-related deaths. In fully adjusted Cox proportional hazard models, the red-green cluster was positively associated with all-cause mortality (tertile 3 vs. tertile 1: hazard ratio [HR] = 1.43, 95% CI = 1.08 to 1.90, P = 0.015). The yellow-orange cluster was inversely associated with all-cause mortality (tertile 3 vs. tertile 1: HR = 0.78, 95% CI = 0.63 to 0.97, P = 0.028) and CVD mortality (tertile 2 vs. tertile 1: HR = 0.57, 95% CI = 0.42 to 0.77, P = 0.005). The orange-blue cluster (composed of antibodies against Eubacterium nodatum and Actinomyces naeslundii) was inversely associated with all-cause mortality (tertile 3 vs. tertile 1: HR = 0.65, 95% CI = 0.55 to 0.78, P < 0.0001) and CVD mortality (tertile 3 vs. tertile 1: HR = 0.65, 95% CI = 0.47 to 0.88, P = 0.007). These antibodies could predict prognosis or be potential intervention targets to prevent systemic effects of periodontal disease if further studies establish a causal relationship.



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