Supramolecular polymers are composed of monomers that self-assemble non-covalently, generating distributions of monodimensional fibres in continuous communication with each other and with the ...surrounding solution. Fibres, exchanging molecular species, and external environment constitute a sole complex system, which intrinsic dynamics is hard to elucidate. Here we report coarse-grained molecular simulations that allow studying supramolecular polymers at the thermodynamic equilibrium, explicitly showing the complex nature of these systems, which are composed of exquisitely dynamic molecular entities. Detailed studies of molecular exchange provide insights into key factors controlling how assemblies communicate with each other, defining the equilibrium dynamics of the system. Using minimalistic and finer chemically relevant molecular models, we observe that a rich concerted complexity is intrinsic in such self-assembling systems. This offers a new dynamic and probabilistic (rather than structural) picture of supramolecular polymer systems, where the travelling molecular species continuously shape the assemblies that statistically emerge at the equilibrium.
Aims
Data on the decomposition of fine roots are scarce for the Mediterranean basin. This work aims to compare chemical traits, decomposition rate, and temperature sensitivity (
Q
10) for root and ...leaf litter of 43 Mediterranean species.
Methods
We carried out a two-years litterbag decomposition experiment using 43 fine roots litter and leaf litter types incubated in laboratory conditions at three different temperatures, i.e. 4 °C, 14 °C, and 24 °C. Litter was characterized for carbon (C), nitrogen (N), lignin and cellulose concentration, C/N, and lignin/N ratios.
Results
Fine root litter had lower N content but higher lignin concentration, lignin/N, and C/N ratios compared to leaf litter. The decay rate of fine root litter was slower than leaf litter. For both tissues, the decay rate was negatively associated with lignin concentration, lignin/N, and C/N ratios but positively with N concentration.
Q
10 was higher for fine root than leaf litter, with a positive correlation with lignin while negative with N concentration.
Conclusions
Our findings demonstrate a higher
Q
10 accompanied by a slower decomposition rate of fine root litter compared to leaf litter in Mediterranean ecosystems. These results must be considered in modeling organic C at the ecosystem scale.
Because plants are estimated to produce over 200,000 metabolites, research into new natural substances that can be used in the pharmaceutical, agrochemical and agro-industrial production of drugs, ...biopesticides and food additives has grown in recent years. The global market for plant-derived drugs over the last decade has been estimated to be approximately 30.69 billion USD. A relevant specific example of a plant that is very interesting for its numerous pharmacological properties, which include antidiabetic, anticarcinogenic, and neuroprotective effects is Gymnema sylvestre, used as a medicinal plant in Asia for thousands of years. Its properties are attributed to triterpenoidic saponins. In light of the considerable interest generated in the chemistry and pharmacological properties of G. sylvestre triterpenes and their analogues, we have undertaken this review in an effort to summarise the available literature on these promising bioactive natural products. The review will detail studies on the isolation, chemistry and bioactivity of the triterpenoids, which are presented in the tables. In particular the triterpenoids oxidised at C-23; their isolation, distribution in different parts of the plant, and their NMR spectral data; their names and physico-chemical characterisation; and the biological properties associated with these compounds, with a focus on their potential chemotherapeutic applications.
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a newly emerged coronavirus that is responsible for the current pandemic of coronavirus disease 2019 (COVID-19), which has resulted in ...more than 3.7 million infections and 260,000 deaths as of 6 May 2020
. Vaccine and therapeutic discovery efforts are paramount to curb the pandemic spread of this zoonotic virus. The SARS-CoV-2 spike (S) glycoprotein promotes entry into host cells and is the main target of neutralizing antibodies. Here we describe several monoclonal antibodies that target the S glycoprotein of SARS-CoV-2, which we identified from memory B cells of an individual who was infected with severe acute respiratory syndrome coronavirus (SARS-CoV) in 2003. One antibody (named S309) potently neutralizes SARS-CoV-2 and SARS-CoV pseudoviruses as well as authentic SARS-CoV-2, by engaging the receptor-binding domain of the S glycoprotein. Using cryo-electron microscopy and binding assays, we show that S309 recognizes an epitope containing a glycan that is conserved within the Sarbecovirus subgenus, without competing with receptor attachment. Antibody cocktails that include S309 in combination with other antibodies that we identified further enhanced SARS-CoV-2 neutralization, and may limit the emergence of neutralization-escape mutants. These results pave the way for using S309 and antibody cocktails containing S309 for prophylaxis in individuals at a high risk of exposure or as a post-exposure therapy to limit or treat severe disease.
Supramolecular fibers composed of monomers that self-assemble directionally via noncovalent interactions are ubiquitous in nature, and of great interest in chemistry. In these structures, the ...constitutive monomers continuously exchange in-and-out the assembly according to a well-defined supramolecular equilibrium. However, unraveling the exchange pathways and their molecular determinants constitutes a nontrivial challenge. Here, we combine coarse-grained modeling, enhanced sampling, and machine learning to investigate the key factors controlling the monomer exchange pathways in synthetic supramolecular polymers having an intrinsic dynamic behavior. We demonstrate how the competition of directional vs. nondirectional interactions between the monomers controls the creation/annihilation of defects in the supramolecular polymers, from where monomers exchange proceeds. This competition determines the exchange pathway, dictating whether a fiber statistically swaps monomers from the tips or from all along its length. Finally, thanks to their generality, our models allow the investigation of molecular approaches to control the exchange pathways in these dynamic assemblies.
The SARS-CoV-2 spike (S) glycoprotein contains an immunodominant receptor-binding domain (RBD) targeted by most neutralizing antibodies (Abs) in COVID-19 patient plasma. Little is known about ...neutralizing Abs binding to epitopes outside the RBD and their contribution to protection. Here, we describe 41 human monoclonal Abs (mAbs) derived from memory B cells, which recognize the SARS-CoV-2 S N-terminal domain (NTD) and show that a subset of them neutralize SARS-CoV-2 ultrapotently. We define an antigenic map of the SARS-CoV-2 NTD and identify a supersite (designated site i) recognized by all known NTD-specific neutralizing mAbs. These mAbs inhibit cell-to-cell fusion, activate effector functions, and protect Syrian hamsters from SARS-CoV-2 challenge, albeit selecting escape mutants in some animals. Indeed, several SARS-CoV-2 variants, including the B.1.1.7, B.1.351, and P.1 lineages, harbor frequent mutations within the NTD supersite, suggesting ongoing selective pressure and the importance of NTD-specific neutralizing mAbs for protective immunity and vaccine design.
Display omitted
•NTD-targeting antibodies are a key part of immunity to SARS-CoV-2•NTD neutralizing antibodies target a single antigenic site of vulnerability•Neutralizing NTD antibodies protect hamsters from SARS-CoV-2 challenge•Variants of concern have mutations in the NTD that escape neutralization
McCallum et al. identify a supersite in the N-terminal domain of SARS-CoV-2 spike protein that is targeted by neutralizing antibodies and exhibits mutation in response to selective pressure.
Tree species influence organic matter sequestration in forest soil. We explored the pattern of soil organic carbon (SOC) and soil organic nitrogen (SON) sequestration in two 40-year-old, adjacent ...forest stands, one with Black pine (Pinus nigra Arn.) and one with Black locust (Robinia pseudoacacia L.). We compared the patterns of annual carbon (C) and nitrogen (N) sequestration in the organic and mineral soil layers of the two forests with literature data for <100years old deciduous and coniferous forests from different climatic zones.
Carbon and N inputs, with aboveground litter fall, were significantly higher in the Black pine than in the Black locust stand. In the soil profile of the Black pine stand, the amount of SOC was significantly higher and that of SON significantly lower than in the Black locust stand. The average annual sequestration rates were 41.3 and 75.0gCm−2, and 2.9 and 2.6gNm−2, respectively, in the Black locust and the Black pine stands. In both forests most of SOC and SON were stored in the organic layers (OL and OF+OH). In the mineral soil layers the amount of SOC was similar for the two stands whereas the amount of SON was significantly higher in the Black locust stand (23.7 vs 14.6gNm−2). In all soil layers, the concentrations of water soluble organic matter (WSOM) were higher in the Black locust stand compared to that with Black pine. Manganese accumulated in the OF+OH layer of the Black pine stand.
The results suggest different sequestration patterns, with higher SOC sequestration rates in the Black pine stand and higher SON sequestration rates in the Black locust stand. Comparison with literature data suggests this to be a generality in C and N sequestration patterns for coniferous and deciduous forests.
•Two coeval nearby forests had diverse C and N amounts and partitions in soil profile.•C stocked in the organic layer was higher under black pine than under black locust.•N stocked in the mineral layer was higher under black locust than under black pine.•C and N sequestration patterns seem to be a generality for deciduous and coniferous.
A novel variant of concern (VOC) named CAL.20C (B.1.427/B.1.429), which was originally detected in California, carries spike glycoprotein mutations S13I in the signal peptide, W152C in the N-terminal ...domain (NTD), and L452R in the receptor-binding domain (RBD). Plasma from individuals vaccinated with a Wuhan-1 isolate-based messenger RNA vaccine or from convalescent individuals exhibited neutralizing titers that were reduced 2- to 3.5-fold against the B.1.427/B.1.429 variant relative to wild-type pseudoviruses. The L452R mutation reduced neutralizing activity in 14 of 34 RBD-specific monoclonal antibodies (mAbs). The S13I and W152C mutations resulted in total loss of neutralization for 10 of 10 NTD-specific mAbs because the NTD antigenic supersite was remodeled by a shift of the signal peptide cleavage site and the formation of a new disulfide bond, as revealed by mass spectrometry and structural studies.
Research Highlights: Plant cover drives the activity of the microbial decomposer community and affects carbon (C) sequestration in the soil. Despite the relationship between microbial activity and C ...sequestration in the soil, potential inhibition of soil microbial activity by plant cover has received little attention to date. Background and Objectives: Differences in soil microbial activity between two paired stands on soil at a very early stage of formation and a common story until afforestation, can be traced back to the plant cover. We hypothesized that in a black locust (Robinia pseudoacacia L.) stand the high-quality leaf litter of the tree, and that of the blackberry (Rubus fruticosus L.) understory had an inhibitory effect on soil microbial community resulting in lower mineralization of soil organic matter compared to the paired black pine (Pinus nigra Arn.) stand. Materials and Methods: We estimated potential mineralization rates (MR), microbial (MB), and active fungal biomass (AFB) of newly-shed litter, forest floor, and mineral soil. We tested the effects of litters’ water extracts on soil MR, MB, AFB and its catabolic response profile (CRP). Results: Newly-shed litter of black locust had higher MR than that of blackberry and black pine; MR, MB, and AFB were higher in forest floor and in mineral soil under black pine than under black locust. Water extracts of black locust and blackberry litter had a negative effect on the amount, activity of microorganisms, and CRP. Conclusions: The results demonstrate the potential for black locust and blackberry litter to have a marked inhibitory effect on decomposer microorganisms that, in turn, reduce organic matter mineralization with possible consequences at the ecosystem level, by increasing C sequestration in mineral soil.
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) transmission leads to the emergence of variants, including the B.1.617.2 (Delta) variant of concern that is causing a new wave of ...infections and has become globally dominant. We show that these variants dampen the in vitro potency of vaccine-elicited serum neutralizing antibodies and provide a structural framework for describing their immune evasion. Mutations in the B.1.617.1 (Kappa) and Delta spike glycoproteins abrogate recognition by several monoclonal antibodies via alteration of key antigenic sites, including remodeling of the Delta amino-terminal domain. The angiotensin-converting enzyme 2 binding affinities of the Kappa and Delta receptor binding domains are comparable to the Wuhan-Hu-1 isolate, whereas B.1.617.2+ (Delta+) exhibits markedly reduced affinity.