Dependence of Slippery and Elastic Properties of Thin Polymer Films on the Grafted Flexible Sidechain Amount.

In modern life, people face a wide number of sticky problems when adhesion is highly undesirable: water and dirt stick to clothes, useful materials stick to the walls of their containers and cannot be fully used, water sticking and freezing on airplane wings affects handling and can be dangerous, biological liquids can stick and form clots inside medical devices threatening patients' lives, etc. Slippery liquid-infused porous surfaces (SLIPSs) with pressure stable omniphobicity could help to solve these issues. Lubricant depletion from porous surface and subsequent degradation of omniphobic properties is the major problem for SLIPS. It could be resolved by attaching flexible, liquid-like sidechains to the polymer matrix. Understanding the relationship between the structure of such polymer films and wetting effects is therefore of great importance. The present work is devoted to the study of droplet pinning on crosslinked polydimethylsiloxane (PDMS) polymer films with varied amounts of attached flexible PDMS sidechains and clarification of the relationship between slippery and viscoelastic properties of the films. An one-stage approach to the synthesis of such slippery coatings on smooth and porous substrates in "eco-friendly" pressurized CO2 solutions is proposed. Pinning force and Young's modulus (E) of the films on silicon substrates with variation of the grafted sidechains amount (x) are measured. The non-monotonic dependence of the pinning force on the amount of sidechains is obtained: the pinning force decreases at small x values (region I) and starts to increase at higher x (region II). The effects of the grafted sidechains amount, as well as matrix softening, are discussed for each case. It is demonstrated that the proposed method of film synthesis allows one to obtain thin, uniform coatings on fabrics without gluing the fibers. Such coatings with an optimal amount of PDMS sidechains demonstrate decreased sliding angles for droplets of water and aqueous alcohol solutions, as compared to PDMS coatings without grafted sidechains. The proposed technique may be of interest for deposition of coatings on porous surfaces having a complex morphology, such as textiles, aerogels, porous electrodes, etc.

Chemical Recycling of High-Molecular-Weight Organosilicon Compounds in Supercritical Fluids.

The main known patterns of thermal and/or catalytic destruction of high-molecular-weight organosilicon compounds are considered from the viewpoint of the prospects for processing their wastes. The advantages of using supercritical fluids in plastic recycling are outlined. They are related to a high diffusion rate, efficient extraction of degradation products, the dependence of solvent properties on pressure and temperature, etc. A promising area for further research is described concerning the application of supercritical fluids for processing the wastes of organosilicon macromolecular compounds.

Water Saturated with Pressurized CO2 as a Tool to Create Various 3D Morphologies of Composites Based on Chitosan and Copper Nanoparticles.

Methods for creating various 3D morphologies of composites based on chitosan and copper nanoparticles stabilized by it in carbonic acid solutions formed under high pressure of saturating CO2 were developed. This work includes a comprehensive analysis of the regularities of copper nanoparticles stabilization and reduction with chitosan, studied by IR and UV-vis spectroscopies, XPS, TEM and rheology. Chitosan can partially reduce Cu2+ ions in aqueous solutions to small-sized, spherical copper nanoparticles with a low degree of polydispersity; the process is accompanied by the formation of an elastic polymer hydrogel. The resulting composites demonstrate antimicrobial activity against both fungi and bacteria. Exposing the hydrogels to the mixture of He or H2 gases and CO2 fluid under high pressure makes it possible to increase the porosity of hydrogels significantly, as well as decrease their pore size. Composite capsules show sufficient resistance to various conditions and reusable catalytic activity in the reduction of nitrobenzene to aniline reaction. The relative simplicity of the proposed method and at the same time its profound advantages (such as environmental friendliness, extra purity) indicate an interesting role of this study for various applications of materials based on chitosan and metals.

Organosilicone Compounds in Supercritical Carbon Dioxide.

This review considers the key advantages of using supercritical carbon dioxide as a solvent for systems with organosilicon compounds. Organosilicon polymeric materials synthesis as well as the creation and modification of composites based on them are discussed. Polydimethylsiloxane and analogues used as polymerization stabilizers and nucleation promoters in pore formation processes are analyzed as well.

A New Look at the Chemical Recycling of Polypropylene: Thermal Oxidative Destruction in Aqueous Oxygen-Enriched Medium.

Recycling of plastic waste, in particular polypropylene, represents one of the most pressing challenges facing humanity. Despite the promise of chemical methods for recycling polypropylene, they usually require a high temperature and are energy-intensive. In this work, we investigated the oxidative thermolysis of polypropylene in aqueous media. This approach rendered it possible to carry out the decomposition of the polymer at a comparatively low temperature (150 °C). It was shown that among the tested, the most promising aqueous medium for the decomposition of polypropylene is water saturated with gaseous oxygen at an elevated pressure (14 bar) and at a temperature of 150 °C. In such an environment, polypropylene was converted mostly to acetic acid (up to 1.3 g/g acetic acid to starting polypropylene mass ratio). Moreover, methanol, formic acid, and propionic acid were also detected as the products. Finally, the applicability of the proposed recycling method to real polypropylene waste was shown.

Study of the Droplet Pinning Force in the Transition from Dry to Liquid-Infused Thin Polymer Films.

The change in the pinning force during the transition from dry to oil-impregnated thin polymer films is studied for droplets of water and hexadecane. A careful variation of the oil amount in the films is performed by means of supercritical impregnation. The film thickness dependence on the oil content is measured using ellipsometry and compared to gel swelling theory estimates. Depending on the oil content, two cases of pinning force behavior have been identified. For each case, the factors that determine the pinning force are discussed. The pinning force in the transition from dry to equilibrium swollen gel films is well approximated by the Joanny and de Gennes hysteresis model of dilute defects.

Novel electrolyte additive of graphene oxide for prolonging the lifespan of zinc-ion batteries.

Aqueous zinc-ion batteries have attracted the attention of the industry due to their low cost, good environmental friendliness, and competitive gravimetric energy density. However, zinc anodes, similar to lithium, sodium and other alkali metal anodes, are also plagued by dendrite problems. Zinc dendrites can penetrate through polymer membranes, and even glass fiber membranes which seriously hinders the development and application of aqueous zinc-ion batteries. To resolve this issue, certain additives are required. Here we have synthesized an electrochemical graphene oxide with novel electrolyte based on tryptophan, which allows to obtain few-layered sheets with a remarkably uniform morphology, good aqueous solution dispersion, easy preparation and environmental friendliness. We used this electrochemical graphene oxide as an additive to the electrolyte for aqueous zinc-ion batteries. The results of phase-field model combined with experimental characterization revealed that the addition of this material effectively promotes the uniform distribution of the electric field and the Zn-ion concentration field, reduces the nucleation overpotential of Zn metal, and provides a more uniform deposition process on the metal surface and improved cyclability of the aqueous Zn-ion battery. The resultant Zn∣Zn symmetric battery with the electrochemical graphene oxide additive affords a stable Zn anode, which provided service for more than 500 h at 0.2 mA cm-2and even more than 250 h at 1.0 mA cm-2. The Coulombic efficiency (98.7%) of Zn∣Cu half-cells and thus cyclability of aqueous Zn-ion batteries using electrochemical graphene oxide is significantly better compared to the additive-free electrolyte system. Therefore, our approach paves a promising avenue to foster the practical application of aqueous Zn-ion batteries for energy storage.

Multiarm Star-Shaped Polydimethylsiloxanes with a Dendritic Branching Center.

New multiarm stars have been synthesized based on polylithium derivatives of high-generation carbosilane dendrimers. In the synthesis of multiarm stars based on the eighth-generation dendrimer, steric hindrances were observed even during the synthesis of a polylithium initiator. Subsequently, this led to chain transfer reactions between growing arms, as well as other side effects. As a result, dense nanogel formations with a higher tendency of ordering than in classical objects of this type were isolated from the reaction mixture. The study of the rheology of multiarm stars based on sixth-generation dendrimers made it possible to determine the activation energies of viscous flow in these objects, which makes it possible to consider them as objects with a macromolecular nature and a reptation flow mechanism.

Efficacy and Haematologic Toxicity of Palliative Radioligand Therapy of Metastatic Castrate-Resistant Prostate Cancer with Lutetium-177-Labeled Prostate-Specific Membrane Antigen in Heavily Pre-Treated Patients.

BACKGROUND: Metastatic castration-resistant prostate cancer (mCRPC) remains a significant contributor to the global cancer burden. lutetium-177-prostate-specific membrane antigen radioligand therapy (177Lu-PSMA RLT) is an effective salvage treatment. However, studies have highlighted haematologic toxicity as an adverse event of concern. We report our single-centre experience of compassionate access palliative 177Lu-DOTAGA-(I-y)fk(Sub-KuE) (177Lu-PSMA I&T) with respect to efficacy and haematologic safety. METHODS: Patients with mCRPC and adequate bone marrow/liver function were included. All patients included underwent baseline and response assessment by Gallium-68-PSMA-11 positron emission tomography/computed tomography (68Ga-PSMA-11 PET/CT). Prescribed activity of therapy was a median 6.24 GBq per patient per cycle (IQR1.29 GBq), administered in 8-week intervals, up to four cycles. Response was assessed by prostate specific antigen (PSA) and a week-12 PET/CT. Incidence of grade ≥ 3 haematologic toxicity, including association with risk factors (age ≥ 70 years, prior/concurrent therapy, presence of metastases, and number of cycles completed), was analysed. RESULTS: One hundred patients completed one cycle of 177Lu PSMA I&T and underwent response assessment by both PSA and PET/CT. Two patients had an uninterpretable week-12 PET/CT. Median age was 70 (50-89), median number of prior therapies was three (1-6), and median follow up was 12-months. Fifty-four percent achieved a PSA response. Disease control rate (DCR) by PET/CT was 64% (29% SD, 34% PR, and 1% CR). Disease control by PET/CT was associated with an improved one-year overall survival (OS) compared to non-responders, median OS not-reached vs 10-months (p < 0.0001; 95% CI: 0.08-0.44). Regarding haematologic toxicity, 11% experienced a grade ≥ 3 cytopenia (self-limiting). No cases of myelodysplasia/acute leukaemia (MDS/AL) have been recorded. No association with risk factors was demonstrated. CONCLUSION: 177Lu-PSMA I&T is a safe and effective palliative outpatient treatment for mCRPC. 68Ga-PSMA-11 PET/CT response is associated with an improved one-year OS and may be used to adapt therapy.

Real-World Data Analysis of Efficacy and Survival After Lutetium-177 Labelled PSMA Ligand Therapy in Metastatic Castration-Resistant Prostate Cancer.

BACKGROUND: Lutetium-177 prostate-specific membrane antigen (177Lu-PSMA) radioligand therapy is emerging as a promising treatment for metastatic castration-resistant prostate cancer refractory to established therapies. While there is an increasing body of survival and other data from retrospective analyses and prospective trials, there is no clear understanding of how best to predict therapy response and survival outcomes. OBJECTIVE: In this retrospective cohort analysis, we aimed to identify features that are associated with response to radioligand therapy and greater survival based on analysis of real-world data. PATIENTS AND METHODS: 191 patients aged 70 ± 8 years with metastatic castration-resistant prostate cancer treated with radioligand therapy from November 2015 to February 2019 were included for analysis. Eligible patients had PSMA-expressing metastatic castration-resistant prostate cancer (confirmed by a 68Ga-PSMA-ligand positron emission tomography (PET)/computed tomography (CT) scan), an Eastern Cooperative Oncology Group performance status score ≤ 2 and no significant kidney, liver or bone marrow dysfunction (as characterised by kidney and liver function tests and a full blood count). Patients received one to five cycles of intravenous 177Lu-PSMA-ligand therapy. Endpoints included biochemical [prostate-specific antigen (PSA)] and radiologic (PSMA PET/CT) response, progression-free survival and overall survival, defined according to the Prostate Cancer Working Group 3 guidelines. Survival analysis was conducted by Kaplan-Meier estimation. RESULTS: Most individuals (89.5%) previously underwent first- and second-line systematic therapy. Of the 191 men treated with 452 cycles with mean injected activity of 6.1 ± 1.0 GBq per cycle, 159 patients were assessed for a biochemical response defined as a PSA decline ≥ 50% from baseline. A ≥ 50% PSA decline was observed in 89 (56%) patients, while any PSA decline occurred in 120 (75%) men. For the entire cohort, median values (interquartile range) of overall survival [n = 191], PSA progression-free survival [n = 132] and PET/CT progression-free survival were 12 (5-18), 4 (3-8) and 6 (3-10) months, respectively. Survival analysis confirmed better outcomes in individuals who had demonstrated therapy response. Predominantly lymph node metastatic disease and chemotherapy-naïve status were significant pre-therapy factors associated with longer survival. Baseline PSA was significantly linked to survival outcomes: lower levels predicted a lower risk of death and disease progression. Treatment-related adverse events included grade 3 or 4 haematological (12%), grade 1 or 2 renal (4.5%), and grade 3 or 4 clinical events (5.7%). CONCLUSIONS: Our findings suggest that 177Lu-PSMA radioligand therapy provides a significant response rate with a low toxicity profile. The evidence promotes greater efficacy of radioligand therapy in predominantly lymph node metastatic castration-resistant prostate cancer, and in individuals with chemotherapy-naïve status and lower levels of baseline PSA.

Green approach for fabrication of bacterial cellulose-chitosan composites in the solutions of carbonic acid under high pressure CO2.

The functionalization of the bacterial cellulose (BC) surface with a chitosan biopolymer to expand the areas of possible applications of the modified BC is an important scientific task. The creation of such composites in the carbonic acid solutions that were performed in this work has several advantages in terms of being biocompatible and eco-friendly. Quantitative analysis of chitosan content in the composite was conducted by tritium-labeled chitosan radioactivity detection method and this showed three times increased chitosan loading. Different physicochemical methods showed successful incorporation of chitosan into the BC matrix and interaction with it through hydrogen bonds. Microscopy results showed that the chitosan coating with a thickness of around 10 nm was formed in the bulk of BC, covering each microfibril. It was found that the inner specific surface area increased 1.5 times on deposition of chitosan from the solutions in carbonic acid.

Structural organization of bacterial cellulose: The origin of anisotropy and layered structures.

In this paper, we perform a systematic analysis of the structural organization of bacterial cellulose (BC). We report four types of organization of the BC mass, produced by Gluconacetobacter hansenii that occur depending on cultivation conditions. Two of those, particularly, plywood type one and layers of micro-sized tubes were observed and described for the first time. In spherical BC particles (pellets), we found the layered structure that had previously been reported for planar geometry only. We suggest a model explaining why layers form in BC films and attempt to reveal the impact of different factors on the BC microscale morphology. We assume that the main factor that has direct impact on the type of structure formed is the rate of BC mass accumulation.

Renal outcomes of radioligand therapy: experience of 177lutetium-prostate-specific membrane antigen ligand therapy in metastatic castrate-resistant prostate cancer.

BACKGROUND: Radioligand therapy (RLT) with 177lutetium (Lu)-labelled prostate-specific membrane antigen (PSMA) ligands has been increasingly used in recent years for therapy of metastatic castrate-resistant prostate cancer (mCRPC). Studies have revealed that 177Lu-PSMA ligand therapy is well tolerated and appears to cause fewer adverse effects than current standard of care third-line treatments. Notably, since 177Lu-PSMA agents are predominantly excreted by kidneys, there are concerns relating to their potential nephrotoxicity and renal outcomes. Although many recent studies have focused on mostly nephrotoxic adverse reactions at up to 3-month follow-up, assessment of renal outcomes after 177Lu-PSMA RLT in longer term follow-up is lacking. The aim of this study was to assess the influence of 177Lu-PSMA RLT on renal function in patients treated for mCRPC at >3 months post-therapy. METHODS: In this retrospective cohort study, we assessed 195 men with progressive mCRPC who had received therapy with 177Lu-PSMA as second- or third-line after standard therapeutic interventions. Patients underwent investigations with 68Ga-PSMA-ligand positron emission tomography/computed tomography scan to confirm PSMA-expressing mCRPC. Eligible patients were required to have estimated glomerular filtration rate (eGFR) >30 mL/min/1.73 m2, an Eastern Cooperative Oncology Group performance status score <3, no severe liver injury (as characterized by liver function tests) and no significant bone marrow dysfunction. Enrolled patients received two to five cycles of intravenous 177Lu-PSMA I&T or 177Lu-PSMA-617, at 6- to 10-week intervals. Renal outcomes were assessed according to Kidney Disease: Improving Global Outcomes guidelines as incidence of acute kidney injury (AKI), acute kidney disease (AKD) or chronic kidney disease (CKD). All assessments and tests were undertaken between therapy cycles and at follow-up of at least 3 months. RESULTS: Of 195 assessed men with mCRPC, 110 patients aged [mean ± SD (range)] 70 ± 8 (53-92) years were recruited into this study with median follow-up of 8 (interquartile range 5-12, minimum 3, maximum 29) months and mean baseline eGFR 81 ± 13 mL/min/1.73 m2. Pre-existing CKD was identified in 12% of patients. None of the patients experienced an AKI during RLT. Two AKD and three CKD G3a cases were identified. Analysis of possible impact of prior CKD and major risk factors (hypertension, diabetes, history of AKI) on incidence of AKD or CKD demonstrated relative risk 4.2 [95% confidence interval (CI) 1.23-14.29] and 1.91 (95% CI 1.14-3.12), respectively. However, Fisher's exact test did not reveal statistical significance of the impact of both conditions. CONCLUSIONS: Current Lu-PSMA RLT protocols appear to carry a mild nephrotoxic risk with the rate of about 4.5%. Prior CKD is potentially the most significant risk factor of post-RLT renal dysfunction.

Chitosan composites with Ag nanoparticles formed in carbonic acid solutions.

Chitosan-based hydrogels with stabilized Ag nanoparticles were synthesized in the aqueous solutions of carbonic acid, i.e. water saturated with CO2 under pressure in hundreds of bars. Such a medium is biocompatible and self-neutralizing at decompression. The influence of various parameters, such as chitosan molecular weight, molar ratio of chitosan to silver, additional stabilization of gels by genipin as a cross-linking agent, on the structure of the chitosan/Ag composites was investigated using transmission electron microscopy, scanning electron microscopy, X-ray diffraction analysis, rheology measurements. The distributions of chitosan-stabilized Ag nanoparticles in a chitosan matrix turned out to be uniform, their average size was in the range of 2-5 nm. The higher degree of Ag nanoparticles reduction could be achieved using self-eliminating gaseous hydrogen as an additional reducing agent being admixed to CO2. This was consistently confirmed by different research methods (TEM, XRDA, UV-vis spectroscopy).

Chitosan coatings with enhanced biostability in vivo.

In this article, we study the stability of chitosan coatings applied on glutaraldehyde-stabilized bovine pericardium when exposed to biodegradation in vivo in the course of model subcutaneous tests on rats. The coatings were deposited from carbonic acid solutions, that is, H2 O saturated with CO2 at high pressure. Histological sections of treated pericardium samples demonstrated that the structure of pericardial connective tissues was not significantly altered by the coating application method. It was revealed that the dynamics of biodegradation depended on the total mass of chitosan applied as well as on the DDA of chitosan used. As long as the amount of chitosan did not exceed a certain threshold limit, no detectable degradation occurred within the time of the tests (12 weeks for the rat model). For higher chitosan amounts, we detected a ∼20% reduction of the mass after the in vivo exposition. The presumed mechanism of such behavior is discussed. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 270-277, 2018.

Formation of Easy-to-Recover Polystyrene-block-Poly(4-vinylpyridine) Micelles Decorated with Pd Nanoparticles in Solutions of Self-Neutralizing Carbonic Acid.

It was found out that block copolymers of polystyrene and poly(4-vinylpyridine) with comparable lengths of blocks could be dissolved in a high-pressure reactor containing water phase saturated with carbon dioxide under high pressure at room temperature. This rather effective dissolution occurs due to a protonation of P4VP nitrogen-containing groups together with a plasticization of the polymer material to be dissolved by a compressed dense CO2 being contained in the autoclave. The selected block copolymers form rather monodispersed micelles with well-defined and reproducible spherical geometry. They apparently have a hydrophobic polystyrene core and a polycationic poly-4-vinylpyridine corona. The obtained micelles were characterized by various techniques such as DLS, AFM, TEM, and SEM. Further, it was revealed that the corona of such micelles could be decorated with Pd nanoparticles having the diameter around 3 nm.

Collagen tissue treated with chitosan solutions in carbonic acid for improved biological prosthetic heart valves.

Calcification of bovine pericardium dramatically shortens typical lifetimes of biological prosthetic heart valves and thus precludes their choice for younger patients. The aim of the present work is to demonstrate that the calcification is to be mitigated by means of treatment of bovine pericardium in solutions of chitosan in carbonic acid, i.e. water saturated with carbon dioxide at high pressure. This acidic aqueous fluid unusually combines antimicrobial properties with absolute biocompatibility as far as at normal pressure it decomposes spontaneously and completely into H2O and CO2. Yet, at high pressures it can protonate and dissolve chitosan materials with different degrees of acetylation (in the range of 16-33%, at least) without any further pretreatment. Even exposure of the bovine pericardium in pure carbonic acid solution without chitosan already favours certain reduction in calcification, somewhat improved mechanical properties, complete biocompatibility and evident antimicrobial activity of the treated collagen tissue. The reason may be due to high extraction ability of this peculiar compressed fluidic mixture. Moreover, exposure of the bovine pericardium in solutions of chitosan in carbonic acid introduces even better mechanical properties and highly pronounced antimicrobial activity of the modified collagen tissue against adherence and biofilm formation of relevant Gram-positive and Gram-negative strains. Yet, the most important achievement is the detected dramatic reduction in calcification for such modified collagen tissues in spite of the fact that the amount of the thus introduced chitosan is rather small (typically ca. 1wt.%), which has been reliably detected using original tritium labelling method. We believe that these improved properties are achieved due to particularly deep and uniform impregnation of the collagen matrix with chitosan from its pressurised solutions in carbonic acid.

Novel composite Zr/PBI-O-PhT membranes for HT-PEFC applications.

Novel composite membranes for high temperature polymer-electrolyte fuel cells (HT-PEFC) based on a poly[oxy-3,3-bis(4'-benzimidazol-2″-ylphenyl)phtalide-5″(6″)-diyl] (PBI-O-PhT) polymer with small amounts of added Zr were prepared. It was shown in a model reaction between zirconium acetylacetonate (Zr(acac)4) and benzimidazole (BI) that Zr-atoms are capable to form chemical bonds with BI. Thus, Zr may be used as a crosslinking agent for PBI membranes. The obtained Zr/PBI-O-PhT composite membranes were examined by means of SAXS, thermomechanical analysis (TMA), and were tested in operating fuel cells by means of stationary voltammetry and impedance spectroscopy. The new membranes showed excellent stability in a 2000-hour fuel cell (FC) durability test. The modification of the PBI-O-PhT films with Zr facilitated an increase of the phosphoric acid (PA) uptake by the membranes, which resulted in an up to 2.5 times increased proton conductivity. The existence of an optimal amount of Zr content in the modified PBI-O-PhT film was shown. Larger amounts of Zr lead to a lower PA doping level and a reduced conductivity due to an excessively high degree of crosslinking.

Sharp diffusion front in diffusion problem with change of state.

We propose an alternative model of diffusion in polymers, which may explain formation of propagating sharp diffusion fronts to be observed in some experiments. Differently from typical Case II or Stefan problem models, plasticisation of the polymer matrix is not necessarily required. Instead, diffusing small molecules are assumed to be captured by some specific sites of the polymer matrix for certain retention times. For example, they may become adsorbed at the surface of the holes and microvoids that are considered to be present in glassy polymer regions according to the well-known dual-sorption model and are attributed to excess free volume frozen into the glassy matrix. On the other hand, the small molecules may become bound to polymer chains. In this adsorbed/bound state they have much smaller movability and thus are effectively excluded from the diffusion. This adsorption/binding is considered to be a reversible process of state changing, but with asymmetric probabilities for direct and reverse events. With this assumption, taking into account that the amount of space available for such immobilised molecules is limited (limited free volume, limited number of anchoring sites) the model naturally results in the formation of sharp diffusion fronts or strong concentration gradients. Such a diffusion front is a region of effective immobilisation (adsorption/binding, though reversible) of the free diffusing molecules. For the simplest prescribed boundary conditions the diffusion front propagates linearly with the square root of time. By means of imposing generalised boundary conditions, it is possible to model other regimes of propagation of the diffusion front, including constant velocity.

Scanning force microscopy as applied to conformational studies in macromolecular research.

The modern state of SFM research on polymer nano-objects including single chains is discussed in comparison with other similar high-resolution microscopy techniques. The range of problems to be solved preferentially by SFM is highlighted. Promising methodology to describe quantitatively the morphology of macromolecular objects is proposed. The main benefits of this algorithm seem to be the apparent mathematical correctness as well as the possibility to estimate errors and the confidence of the numbers obtained. Special attention is paid to the dynamic observations of conformational transitions on a substrate in real time regime. This approach allows one to realise direct control of the adsorbed macromolecules by means of exposure to different vapours. Driving forces of the vapour-induced reorganisation are discussed.