Distinct Structural Changes Research Articles

Heterotropic roles of divalent cations in the establishment of allostery and affinity maturation of integrin αXβ2.

SUMMARYAllosteric activation and silencing of leukocyte β2-integrins transpire through cation-dependent structural changes, which mediate integrin biosynthesis and recycling, and are essential to designing leukocyte-specific drugs. Stepwise addition of Mg2+ reveals two mutually coupled events for the αXβ2 ligand-binding domain—the αX I-domain—corresponding to allostery establishment and affinity maturation. Electrostatic alterations in the Mg2+-binding site establish long-range couplings, leading to both pH− and Mg2+-occupancy-dependent biphasic stability change in the αX I-domain fold. The ligand-binding sensorgrams show composite affinity events for the αX I-domain accounting for the multiplicity of the αX I-domain conformational states existing in the solution. On cell surfaces, increasing Mg2+ concentration enhanced adhesiveness of αXβ2. This work highlights how intrinsically flexible pH− and cation-sensitive architecture endows a unique dynamic continuum to the αI-domain structure on the intact integrin, thereby revealing the importance of allostery establishment and affinity maturation in both extracellular and intracellular integrin events.

Protective effect of acrocarpus fraxinifolius extract against hepatic fibrosis induced by Gamma irradiation and carbon tetrachloride in albino rats

Purpose Liver fibrosis is considered as one of the ultimate outcomes of chronic liver disorders, characterized by outrageous cell proliferation and abnormal deposition of extracellular matrix, resulting in sever pathological distortions in the architecture and performance of liver tissues. The present study aimed to investigate the protective properties of aqueous methanol extract of Acrocarpus fraxinifolius leaves (AFL) against liver fibrosis induced by dual toxicity of γ-irradiation and carbon tetrachloride (CCl4) in rats. Methods The animals were exposed to 2 Gy irradiation once/week concurrently with intraperitoneal administration of CCl4 (0.2 mL/100 g body weight) for seven weeks. Afterwards, liver toxicity and fibrosis were assessed biochemically at cellular and molecular as well as histopathological levels. Results The livers of intoxicated rats showed distinct structural and functional changes, compared with the normal rats. The administration of AFL (500 mg/kg, p.o) significantly ameliorated the histopathological manifestations of fibrotic liver evidenced by mitigated steatosis progression, necrosis, fibrotic septa, apoptotic bodies, and immunochistochemical studies of alpha-smooth muscle actin. Also, AFL increased the final body weight, total protein, albumin levels and albumin/globulin ratio. While, the absolute liver weight, liver enzymes, total cholesterol and triglycerides were reduced. A significant modulation was observed in hydroxyproline, transforming growth factor-β and collagen-1expression. Furthermore, AFL exerted a direct effect on liver fibrosis by promoting extracellular matrix degradation via overexpression of the tissue inhibitor metalloproteinase-1, coupled with decease of metalloproteinase-9 activity. Conclusions Our findings suggested that AFL effectively improved the architecture of fibrotic liver and modified the biochemical markers of liver fibrosis.

Towards passive bioremediation of dye-bearing effluents using hydrous ferric oxide wastes: Mechanisms, products and microbiology

A novel, circular economy-inspired approach for the “passive” (non-powered and reagent-free) treatment of dye-bearing effluent is presented. The treatment utilises the biogeochemical interaction of dye-bearing wastewater with hydrous ferric oxide (HFO) bearing sludges. The work presented demonstrates for the first time the reuse of HFO-rich waste sludges from potable water and mine water treatment. The waste was used directly without modification or reagent addition, as media/substrate in simple flow-through reactors for the decolourisation and biodegradation of methyl orange (MO) and mixed dyes textile effluent. Three phases of exploratory proof of concept work were undertaken. Columns containing HFO sludges were challenged with solution of MO, and MO amended with glycerol (Phase I), MO in a synthetic textile effluent recipe (Phase II), and real mixed textile effluent containing a mixture of dyes (Phase III). After an initial lag period extensive decolourisation of dye was observed in all cases at rates comparable with pure strains and engineered bioreactor processes, with evidence of biodegradation beyond simple cleavage of the mono azo chromophore and mineralisation. The microbiology of the initial sludge samples in both cases exhibited a diverse range of iron oxidising and reducing bacteria. However, post experiment the microbiology of sludge evolved from being dominated by Proteobacteria to being dominated by Firmicutes. Distinct changes in the microbial community structure were observed in post-treatment MWTS and WTWS where genera capable of iron and sulphate reduction and/or aromatic amine degradation were identified. Average nitrogen removal rates for the columns ranged from 27.8 to 194 g/m3/day which is higher than engineered sequential anaerobic-aerobic bioreactor. Postulated mechanisms for the fast anaerobic decolourisation, biodegradation, and mineralisation of the dyes (as well nitrogen transformations) include various direct and indirect enzymatic and metabolic reactions, as well as reductive attack by continuously regenerated reductants such as Fe(II), HFO bound Fe(II), FeS, and HS−. The ability of iron reducers to degrade aromatic rings is also considered important in the further biodegradation and complete mineralisation of organic carbon. The study reveals that abundant and ubiquitous HFO-rich waste sludges, can be used without amendment, as a substrate in simple flow-through bioremediation system for the decolourisation and partial biodegradation of dyes in textile effluent.

Assessment of Psoriatic Skin Features Using Non-Invasive Imaging Technique

Background: Psoriasis is one of the most commonly recognized dermatological diseases, characterized by distinct structural changes, hyperproliferation and inflammation. The aim of the study was quantitative comparisons of psoriatic skin with skin without psoriatic lesions by non-invasive imaging methods. Methods: 71 patients diagnosed with psoriasis vulgaris underwent non-invasive imaging of skin at the site of the psoriatic lesion and at the site without such lesion. Skin density, epidermis thickness and subepidermal low-echogenic band (SLEB) thickness were measured by high-resolution ultrasound (HFU). Blood perfusion was assessed using laser speckle contrast analysis (LASCA) and skin temperature was measured by thermal imaging camera. Hyperspectral camera was used to obtain spectral reflectance profiles in psoriatic lesion and skin without psoriatic changes. Results: The greatest differences in skin density and epidermal thickness between psoriatic and unchanged skin were observed on the forearms. The skin covered with psoriatic plaques was 80% less dense, and the epidermis in this area was 121% thicker. The greatest thickness of SLEB was observed in the knee area (Me = 0.389 mm). Skin with psoriatic lesions is characterized by a higher temperature (Me = 33.6 vs. Me = 31) and blood perfusion than skin without psoriasis (Me = 98.76 vs. Me = 50.65). Skin without psoriasis shows lower reflectance than psoriatic lesion from 623 nm to 1000 nm; below this value, skin without psoriatic lesion shows higher reflectance. Conclusions: Skin density and epidermis thickness, skin blood perfusion, temperature and reflectance can be useful parameters for monitoring the course of psoriasis and its treatment, especially since the examination of psoriatic skin with proposed methods is non-invasive, quantitative and easy to perform in clinical conditions.

Relevance of sleep and associated structural changes in GBA1 mouse to human rapid eye movement behavior disorder

Rapid eye movement (REM) sleep behaviour disorder (RBD) is a REM parasomnia that often predicts the later occurrence of alpha-synucleinopathies. Variants in the gene encoding for the lysosomal enzyme glucocerebrosidase, GBA, strongly increase the risk of RBD. In a GBA1-mouse model recently shown to mimic prodromal stages of α-synucleinopathy, we now demonstrate striking REM and NREM electroencephalographic sleep abnormalities accompanied by distinct structural changes in the more widespread sleep neurocircuitry.

Structural imaging findings are related to clinical complications in chronic pancreatitis.

Background/objectivesStructural pancreatic changes and complications related to chronic pancreatitis are well described, but little is known about their relationship. We aimed to explore the associations between pancreatic morphology and clinical complications in a large chronic pancreatitis cohort.MethodsThe Scandinavian Baltic Pancreatic Club database collects registrations on patients with definite or probable chronic pancreatitis according to the M‐ANNHEIM diagnostic criteria. In this cross‐sectional study, we used multivariate logistic regression analyses to evaluate whether imaging‐based structural pancreatic changes were associated with common clinical complications. We adjusted for sex, age, disease duration, current alcohol abuse and current smoking.ResultsWe included 742 patients with a mean age of 55 years. Among these, 68% were males, 69% had pancreatic exocrine insufficiency, 35% had diabetes, 12% were underweighted and 68% reported abdominal pain. Main pancreatic duct obstruction, severe (i.e. more than 14) calcifications, pancreatic atrophy and parenchymal changes throughout the entire pancreas (continuous organ involvement) were positively associated with pancreatic exocrine insufficiency. Continuous organ involvement and pseudocysts were positively and negatively associated with diabetes, respectively. Pancreatic atrophy and severe calcifications were positively associated with underweight, and severe calcifications were negatively associated with pain.ConclusionsThis study shows independent associations between distinct structural changes on pancreatic imaging and clinical complications in chronic pancreatitis. Pancreatic atrophy, severe calcifications and continuous organ involvement may be of particular clinical relevance, and these findings should motivate monitoring of pancreatic function and nutritional status.

Environmental filtering drives assembly of diatom communities over evolutionary time‐scales

AbstractAimEcological communities are structured through the interplay of deterministic assembly processes such as competition and environmental filtering. Whereas the drivers of spatial community structure are frequently studied in extant communities, little is known about the relative importance of assembly processes in response to environmental factors over evolutionary time‐scales. Here, we use an integrative framework to unravel community assembly processes since the inception of a long‐lived lake ecosystem.LocationLake Ohrid.Time periodFrom lake formation 1.36 million years ago to the present.Major taxa studiedPlanktonic diatoms.MethodsWe constructed a dated phylogeny of extant and extinct diatoms and collected trait data for 380 fossil communities to quantify phylogenetic community structure and functional richness and to determine the relative importance of deterministic assembly processes over time. We then used regression analysis to correlate the phylogenetic community structure with palaeoenvironmental and intrinsic biological predictors and to identify primary drivers of assembly processes.ResultsOur results suggest a dense packing of niche space with higher species richness and co‐occurrence of closely related species. There are only two short episodes in the very recent past dominated by distantly related taxa. We found distinct changes in phylogenetic community structure upon speciation or extinction events and an increase in mean community relatedness over time.Main conclusionsOur finding of closely related co‐occurring species implies environmental filtering as the primary assembly mechanism, with a minor but increasingly important role of competition towards the present, driven by evolutionary dynamics. Such an increase in the relative contribution of competition to the assembly of communities in relation to the aging of an insular ecosystem, together with a denser packing of morphospace in the early phase of system ontogeny is compatible with ecological predictions according to the theory of island biogeography.

Phenotypic clusters on computed tomography reflects asthma heterogeneity and severity.

BackgroundAsthma is a heterogeneous inflammatory airway disorder with various phenotypes. Quantitative computed tomography (QCT) methods can differentiate among lung diseases through accurate assessment of the location, extent, and severity of the disease. The purpose of this study was to identify asthma clusters using QCT metrics of airway and parenchymal structure, and to identify associations with visual analyses conducted by radiologists.MethodsThis prospective study used input from QCT-based metrics including hydraulic diameter (Dh), luminal wall thickness (WT), functional small airway disease (fSAD), and emphysematous lung (Emph) to perform a cluster analysis and made comparisons with the visual grouping analysis conducted by radiologists based on site of airway involvement and remodeling evaluated.ResultsA total of 61 asthmatics of varying severities were grouped into 4 clusters. From C1 to C4, more severe lung function deterioration, higher fixed obstruction rate, and more frequent asthma exacerbations were observed in the 5-year follow-up period. C1 presented non-severe asthma with increased WT, Dh of proximal airways, and fSAD. C2 was mixed with non-severe and severe asthmatics, and showed bronchodilator responses limited to the proximal airways. C3 and C4 included severe asthmatics that showed a reduced Dh of the proximal airway and diminished bronchodilator responses. While C3 was characterized by severe allergic asthma without fSAD, C4 included ex-smokers with high fSAD% and Emph%. These clusters correlated well with the grouping done by radiologists and clinical outcomes.ConclusionsFour QCT imaging-based clusters with distinct structural and functional changes in proximal and small airways can stratify heterogeneous asthmatics and can be a complementary tool to predict clinical outcomes.

Patterning a cellulose based dual-tone photoresist via deep X-ray lithography

The desire to combine properties such as ready availability, low price and biodegradability makes cellulose derivatives such as Trimethylsilyl cellulose (TMSC) an ideal precursor suited to study different applications on the abundant material, cellulose. Here we introduce a lithographic approach to pattern the cellulose derivative, TMSC, via photoinduced X-ray conversion. Thin films of this biopolymer were irradiated by means of proximity deep X-ray lithography. With increasing energy dose, we found distinct structural and chemical changes resulting in two polarity transitions and related thereto material solubility alterations. Based on this, we demonstrate that positive and negative tone structures can be obtained in one single exposure at the same energy dose. Notably, the positive tone pattern is produced when applying Isopropyl alcohol (IPA) or purified water to dissolve the exposed surface. In contrast, the negative tone structure is produced with toluene. These findings suggest TMSC as a potential dual-tone photoresist applicable in microelectronics or surface chemistry where it can be applied as a dielectric layer, a pattern template, used in microfluidics or functionalized for bioassays.

Association of Pericardial Fat with Cardiac Structure, Function, and Mechanics: The Multi-Ethnic Study of Atherosclerosis

Pericardial fat has been associated with adverse cardiovascular outcomes through adiposity-associated inflammation and insulin resistance, which in turn are linked to cardiac dysfunction. We sought to evaluate the association between pericardial fat volume and cardiac structure and function in adults without baseline cardiovascular disease. We analyzed data from the Multi-Ethnic Study of Atherosclerosis. Linear regression was used to examine the association between pericardial fat volume (by cardiac computed tomography during exam 1, 2000-2002) and cardiac function by echocardiography, six-minute walk distance (6MWD), and symptom severity as assessed using the Kansas City Cardiomyopathy Questionnaire-12 (exam 6, 2016-18). Among 3,032 participants, each 1 SD (39.3cm3) increase in pericardial fat volume was associated with lower (worse) absolute left atrial reservoir strain (β=-0.98%; 95% CI, -1.29, -0.68; P<.001), right ventricular free wall strain (β=-0.75%; 95% CI, -1.00, -0.51; P<.001), and right atrial reservoir strain (β=-0.59%; 95% CI, -1.00, -0.19; P<.01) after adjustment for potential confounders. Greater pericardial fat volume was associated with lower 6MWDs (β=-5.70m; 95% CI, -10.34, -1.06; P=.02) but not with Kansas City Cardiomyopathy Questionnaire-12 scores or N-terminal pro b-type natriuretic peptide after multivariable adjustment. In a population-based cohort of adults, pericardial fat volume was independently associated with subclinical atrial and right ventricular dysfunction and reduced 6MWD. These distinct changes in cardiac structure and function suggest a potential mechanistic role for pericardial fat in early heart failure.

СВИНЦОВАЯ ЭКСПОЗИЦИЯ КАК ПРЕДПОСЫЛКА ОГРАНИЧЕНИЯ РЕАЛИЗАЦИИ МАКСИМАЛЬНОЙ ФИЗИЧЕСКОЙ АКТИВНОСТИ

As a result of man’s technological activities, numerous quantities of lead and its compounds are spread into the environment annually. The long-term effects of low doses of lead on the lungs, heart muscle and the transport function of erythrocytes were investigated. The study results indicate that long-term intake of small doses of lead, even in the absence of visible clinical manifestations, causes distinct structural changes and therefore, functional changes in the heart muscle, respiratory system, reduces the transport function of erythrocytes, and also possibly limiting the oxygen transport in myocytes and its deposition in tissues and diffusion into cells. There is no doubt that these changes will limit the ability to maximize the realization of physical activity.

Climatic-niche evolution with key morphological innovations across clades within Scutiger boulengeri (Anura: Megophryidae).

The studies of climatic‐niche shifts over evolutionary time accompanied by key morphological innovations have attracted the interest of many researchers recently. We applied ecological niche models (ENMs), ordination method (environment principal component analyses; PCA‐env), combined phylogenetic comparative methods (PCMs), and phylogenetic generalized least squares (PGLS) regression methods to analyze the realized niche dynamics and correspondingly key morphological innovations across clades within Scutiger boulengeri throughout their distributions in Qinghai–Tibet Plateau (QTP) margins of China. Our results show there are six clades in S. boulengeri and obvious niche divergences caused by niche expansion in three clades. Moreover, in our system, niche expansion is more popular than niche unfilling into novel environmental conditions. Annual mean temperature, annual precipitation, and precipitation of driest month may contribute to such a shift. In addition, we identified several key climatic factors and morphological traits that tend to be associated with niche expansion in S. boulengeri clades correspondingly. We found phenotypic plasticity [i.e., length of lower arm and hand (LAHL), hind‐limb length (HLL), and foot length (FL)] and evolutionary changes [i.e., snout–vent length (SVL)] may together contribute to niche expansion toward adapting novel niche, which provides us a potential pattern of how a colonizing toad might seed a novel habitat to begin the process of speciation and finally adaptive radiation. For these reasons, persistent phylogeographic divisions and accompanying divergences in niche occupancy and morphological adaption suggest that for future studies, distinct genetic structure and morphological changes corresponding to each genetic clade should be included in modeling niche evolution dynamics, but not just constructed at the species level.

CO2 as a soft oxidant for propane oxidative dehydrogenation: A mechanistic study using operando UV Raman spectroscopy

The utilization of CO2 as an oxidant has recently attracted increasing attention due to its mild oxidizing properties allowing higher product selectivities to be achieved e.g. in propane oxidative dehydrogenation (ODH). In this communication we address mechanistic aspects of propane ODH over silica supported vanadia (VOx/SiO2) catalysts in the presence of CO2 as oxidizing agent. The use of operando UV Raman spectroscopy reveals distinct changes in the surface vanadia structure including breakage of VOV bonds and a partial reduction of vanadyl, as well as the formation of support hydroxyl groups, while the presence of CO2 is observed to prevent coke deposition. Our results are fully consistent with the occurrence of two parallel pathways, i.e., direct ODH (one step) and dehydrogenation followed by a reverse water-gas shift reaction (two step), supporting previous literature proposals.

Distinct clinical manifestations of obsessive-compulsive disorder are associated with cortical thickness alteration.

Although brain structural changes have been reported in patients with obsessive-compulsive disorder (OCD), results from previous studies have been inconsistent. A growing number of studies have focused on obsessive beliefs and impulsivity which could be involved in the occurrence and maintenance of OCD symptoms. The present study aimed to examine whether there are distinct brain structural changes in patients with different OCD subgroups. Eighty-nine patients with OCD and 42 healthy controls were recruited to undergo structural magnetic resonance imaging brain scan. OCD patients were classified into subgroups according to scores of the Obsessive Belief Questionnaire (OBQ-44) and the Barratt Impulsiveness Scale (BIS-11) using cluster analysis. Group comparisons in cortical thickness and subcortical volumes between all OCD patients and healthy controls, as well as between subgroups of OCD patients and healthy controls, were carried out. OCD patients with more obsessive beliefs and attentional impulsivity (OCD_OB_AT) had reduced cortical thickness at the inferior parietal gyrus, the superior and middle temporal gyrus and the insula compared with OCD patients with higher score on the non-planning impulsivity (OCD_NP, corrected p < 0.05). The whole group of OCD patients and both subgroups showed reduced cortical thickness at the superior parietal gyrus compared with controls (uncorrected p < 0.01, number of vertices > 100). Our results suggest that apart from distinct phenomenology, there are distinct neural correlates of different OCD subgroups based on obsessive beliefs and impulsivity. These neural correlates may have clinical significance and should be considered in future research.

Autism-associated SHANK3 missense point mutations impact conformational fluctuations and protein turnover at synapses.

Members of the SH3- and ankyrin repeat (SHANK) protein family are considered as master scaffolds of the postsynaptic density of glutamatergic synapses. Several missense mutations within the canonical SHANK3 isoform have been proposed as causative for the development of autism spectrum disorders (ASDs). However, there is a surprising paucity of data linking missense mutation-induced changes in protein structure and dynamics to the occurrence of ASD-related synaptic phenotypes. In this proof-of-principle study, we focus on two ASD-associated point mutations, both located within the same domain of SHANK3 and demonstrate that both mutant proteins indeed show distinct changes in secondary and tertiary structure as well as higher conformational fluctuations. Local and distal structural disturbances result in altered synaptic targeting and changes of protein turnover at synaptic sites in rat primary hippocampal neurons.

Visual Analytics for Climate Change Detection in Meteorological Time-Series

The importance of high-resolution meteorological time-series data for detection of transformative changes in the climate system is unparalleled. These data sequences allow for a comprehensive study of natural and forced evolution of warming and cooling tendencies, recognition of distinct structural changes, and periodic behaviors, among other things. Such inquiries call for applications of cutting-edge analytical tools with powerful computational capabilities. In this regard, we documented the application potential of visual analytics (VA) for climate change detection in meteorological time-series data. We focused our study on long- and short-term past-to-current meteorological data of three Central European cities (i.e., Vienna, Munich, and Zürich), delivered in different temporal intervals (i.e., monthly, hourly). Our aim was not only to identify the related transformative changes, but also to assert the degree of climate change signal that can be derived given the varying granularity of the underlying data. As such, coarse data granularity mostly offered insights on general trends and distributions, whereby a finer granularity provided insights on the frequency of occurrence, respective duration, and positioning of certain events in time. However, by harnessing the power of VA, one could easily overcome these limitations and go beyond the basic observations.

Mechanical and Structural Remodeling of Cardiac Muscle after Aerobic and Resistance Exercise Training in Rats.

Aerobic and resistance exercise training results in distinct structural changes of the heart. The mechanics of how cardiac cells adapt to resistance training and the benefits to cells when combining aerobic and resistance exercise remains largely unknown. The purpose of this study was to compare mechanical adaptations of skinned cardiac fiber bundles after chronic resistance, aerobic and combined exercise training in rats. We hypothesized that differences in mechanical function on the fiber bundle level coincide with differences previously reported in the structure of the heart. Twelve-week-old rats were assigned to (i) an aerobic running group (n = 6), (ii) a ladder climbing resistance group (n = 6), (iii) a combination group subjected to aerobic and resistance training (n = 6), or (iv) a sedentary (control) group (n = 5). Echocardiography was used to measure cardiac structural remodeling. Skinned cardiac fiber bundles were used to determine active and passive force properties, maximal shortening velocity, and calcium sensitivity. Aerobically trained animals had 43%-49% greater ventricular volume and myocardial thickness, and a 4%-17% greater shortening velocity and calcium sensitivity compared with control group rats. Resistance-trained rats had 37%-71% thicker ventricular walls, a 56% greater isometric force production, a 9% greater shortening velocity, and a 4% greater calcium sensitivity compared with control group rats. The combination exercise-trained rats had 25%-43% greater ventricular volume and myocardial wall thickness, a 55% greater active force production, a 7% greater shortening velocity, and a 60% greater cross-bridge cooperativity compared with control group rats. The heart adapts differently to each exercise modality, and a combination of aerobic and resistance training may have the greatest benefit for cardiac health and performance.

Auxin signaling and vascular cambium formation enable storage metabolism in cassava tuberous roots.

Cassava storage roots are among the most important root crops worldwide, and represent one of the most consumed staple foods in sub-Saharan Africa. The vegetatively propagated tropical shrub can form many starchy tuberous roots from its stem. These storage roots are formed through the activation of secondary root growth processes. However, the underlying genetic regulation of storage root development is largely unknown. Here we report distinct structural and transcriptional changes occurring during the early phases of storage root development. A pronounced increase in auxin-related transcripts and the transcriptional activation of secondary growth factors, as well as a decrease in gibberellin-related transcripts were observed during the early stages of secondary root growth. This was accompanied by increased cell wall biosynthesis, most notably increased during the initial xylem expansion within the root vasculature. Starch storage metabolism was activated only after the formation of the vascular cambium. The formation of non-lignified xylem parenchyma cells and the activation of starch storage metabolism coincided with increased expression of the KNOX/BEL genes KNAT1, PENNYWISE, and POUND-FOOLISH, indicating their importance for proper xylem parenchyma function.

Soybean germination limits the role of cell wall integrity in controlling protein physicochemical changes during cooking and improves protein digestibility

Previous studies showed that in vitro digestibility of proteins in cooked beans is modulated by heat treatment and that the effect may be different whether proteins are heated in intact cotyledon or in a bean flour. In this study, germinated and non-germinated soybean cotyledons and flour were boiled at 100 °C for varying times (30, 90, or 180 min). After grinding, the level of trypsin inhibitors, protein aggregation, surface hydrophobicity, the secondary structure, and in vitro digestibility were studied. The presence of an intact cell wall during cooking increased protein denaturation temperature by about 10% and reduced the denaturation of trypsin inhibitors, and induced distinct changes in protein surface hydrophobicity and secondary structure. These physicochemical properties translated into an increment in protein degree of hydrolysis (DH, 72%) of protein cooked for 30 min as flour compared to proteins cooked in intact soybean tissues (64%). Increase in cooking times (90 and 180 min) resulted in limited improvement in the protein digestibility and changes in protein physicochemical properties for both boiled cotyledons and flour. Soybean germination resulted in distinct changes in protein physicochemical properties and higher protein DH% of raw soybean (61%) compared to non-germinated raw soybean (36%). An increase in protein digestibility of germinated soybean was also observed after boiling for both cotyledon and flour. However, significant differences in DH% were not observed between proteins boiled in intact cotyledon and in a flour. This work provides extra knowledge of the role of cellular integrity on protein properties in plant foods and suggests that germination or grinding before cooking may increase protein digestibility.

Systematic investigation of new alkaline earth phosphonates based on the linker molecule N,N’‐4,4’‐bipiperidine‐bis(methylenephosphonic acid)

AbstractA systematic study of the systems M2+/H4L/KOH/H2O, with M2+=Mg2+, Ca2+, Sr2+, Ba2+ and H4L=N,N’‐4,4’‐bipiperidine‐bis(methylenephosphonic acid) was carried out using high‐throughput methods, including a temperature gradient oven. Overall, six new alkaline earth phosphonates were discovered and structurally characterised by single‐crystal and powder X‐ray diffraction. At room temperature the compounds of composition [Mg2(H2O)8(L)] (1), [Ca2(H2O)6(L)] (2), [Sr2(H2O)4(L)] (3) and [Ba2(H2O)9(L)] ⋅ H2O (4) were discovered. They exhibit the same metal to linker ratio, but differ in their water content. Distinct structural changes are observed with an increase in dimensionality of the coordination polymer with increasing ionic radius of the metal ion. At elevated reaction temperatures the two new metal phosphonates [Mg2(H2O)5(L)] (5) and [Ba2(H2O)2(L)] ⋅ 2 H2O (6) were obtained either from the same reaction mixture as for 1 and 4, respectively, or by solid state transformation. The detailed characterisation of the all materials is also reported.