Date: Wednesday, 26 October 2022 - Friday, 28 October 2022 Room: Foyer 1st floor

Poster Language: English Category: Sustainability / Economic Sustainability Recycling of end-of-life silicone products Silicone is a versatile material that finds use in a wide range of different applications, and as such its commercial importance is significant. Silicones are an integral part of consumer products e.g. Personal Care and Home Care. However, the production of silicones is highly energy intensive. To fully exploit the value of this resource, end-of-life silicone products can be recycled. As a result, today’s silicone waste can be used to produce an important alternative raw material for tomorrow. This approach to silicone recycling follows the waste-to-value process and takes place across several stages. The end-of-life polymers are catalytically split into silicone monomers, then are modified, and then finally polymerized into e.g. a new modified silicone in virgin quality, which can be used for Personal Care or the use in Home Care products. CHT´s contribution The silicone experts of CHT successfully developed a product for the use in Personal Care and Home Care application based on recycled monomers made from end-of-life Silicone polymers. CHT-BeauSil™ RE-AMO 919 EM CHT-BeauSil™ RE-AMO 919 EM is an emulsion based on Gluconamido Amodimethicone polymer which is a universal ingredient for Hair Care . The emulsion can be used in various hair care applications like shampoos, conditioners, and water-based treatments. CHT was able to develop a process to use recycled monomers to gain the highest purity of a 2nd life polymer for Personal Care. >94% of the silicone part is made from recycled monomers. The sugar part and the surfactants are natural sourced ingredients. At the end the product contains just <1,0% new synthetic ingredients. The smartly engineered process at CHT ensures that the final quality will not be different from the classic monomers.

Poster Language: English Category: Personal Care / Skin Care Natural polysaccharides are perfectly biodegradable but notoriously poor in stabilizing cosmetic emulsions.  Emulium® Dolcea MB has been designed to solve this difficulty and make it easy for the formulator. In the form of hydrated lipidic pellets containing a multi-component composition, this natural, COSMOS approved, vegan and eco-conceived emulsifier offers the robustness and flexibility of formerly used PEG-based ingredients: it supports high oil phases (up to 45%) with wide ranges of polarities, it is compatible with ethanol, natural preservative systems and natural gelling agents. Heat stability is guaranteed without need for high shear, making a variety of textures from serums to rich butters, through a wide pH range. Results also confirm the rapid biodegradability of skincare creams with Emulium® Dolcea MB chassis. The sensory personality of Emulium Dolcea MB is well defined. Extreme softness of the skin is achieved for all formulation types, with an impact that lasts for hours. Both sensory and moisturization performance are obtained thanks to the protective esters resulting from interesterification of jojoba and sunflower oils.  This Gattefossé patented technology is called “wax butter”. Evaluated by a consumer panel with dry and dry-tendency skin, the moisturized aspect and skin comfort were the first improvements acclaimed. Skin radiance and smoothness were also visibly improved. The skin gains significant and long-term hydration, even 48 hours after application. Matching this claim, the skin remains soft and smooth. To summarize: an easy life for formulators, the perfect sensory / activity combination, and better cosmetics for our planet.

Poster Language: English Category: Personal Care / Skin Care Vita Naturgel® was born in the oceans to land in cosmetics In cosmetic and personal care products, more than any other consumer product, rheology control is a vital component of the product’s functionality. In addition to functionality, consumers want to buy effective, organic and natural products that protect their skin, as well as their environment. Vita Naturgel® is a water-soluble natural hydrocolloid extracted from selected species of red seaweed – Rhodophyceae and brown algae. This plant-based thickener is composed of carefully selected algae, producing exceptional organoleptic characteristics and increases the natural feel of cosmetic products. In recent years, carrageenan-based biomaterials have gained importance, due to their multifunctional qualities, in addition to their bioactive attributes such as their antiviral, antibacterial, antioxidant, immunoregulatory properties and in the development of drugs. We have studied in Vita Naturgel®, the combination of carrageenan with other hydrocolloids, to obtain different cosmetic textures, modifying the rheological properties. Formulating personal care products is dependent on numerous factors such as the way in which the product is applied, compatibility with other ingredients, skin feel, the desired texture, the positioning of the product and stability. The influence of pH and temperature has been studied, as well as the compatibility in different solvents, surfactants and electrolytes. The main applications are as a thickening, gelling agent, skin feel, lubricity in creams, lotions, body butter, jelly bath and shampoos, shaving cream and gel, natural toothpaste. It is biodegradable, biocompatible, renewable and safe. It is the ideal alternative, to replace thickeners containing microplastics.

Poster Language: English Category: Personal Care / Skin Care With potential upcoming European regulations limiting the use of volatile cyclomethicones in leave-on applications combined with the strong demand from customers and consumers to use bio-based and biodegradable materials, there is a need for new biodegradable carriers acting as alternatives to cyclomethicones using sustainable feedstocks.  EcoSmooth™ Universal Fluid 1100 can be used in leave-on applications as an alternative to cyclomethicones, fossil-based hydrocarbons and other oils as well as bringing additional properties and new formulation possibilities. The following evaluations were performed: Volatility profiles at room and skin temperature (32°C); Sensory comparisons with cyclomethicones and organic fluids using an experienced Dow internal panel   Comprehensive compatibility study with a broad range of cosmetic materials including fragrances, cosmetic actives, and sunscreens and this at several ratios; Cleansing properties for waterproof color cosmetics; Dispersion and suspension of pigments; Formulation in o/w and w/o emulsions, sticks, foundations. Several formulations containing EcoSmooth™ Universal Fluid 1100 will be illustrated, demonstrating the versatility of this novel material across different leave-on skin product formats including facial care, body care, AP deo and color cosmetics. EcoSmooth™ Universal Fluid 1100 is a 100% renewable carbon-containing novel cosmetic carrier fluid using by-products from sugar cane and corn harvests. It has medium volatility and a similar sensory profile when compared to cyclopentasiloxane, making it a potential alternative to existing carriers. EcoSmooth™ Universal Fluid 1100 is biodegradable and has a good safety profile, making this carrier ideal for the formulation of very high naturally index compositions without compromising texture, sensory and performance.

Poster Language: English Category: Personal Care / Hair Care Consumers would like to have beautiful and healthy hair, but chemical procedures and even daily grooming expose the hair fiber to different damages. Flat irons, which can reach temperatures up to 240ºC, and hair dryers can deplete the fiber keratin. Facing these consequences on the hair’s appearance, consumers look for natural alternatives for hair restoration. The most used ingredients for heat protection are silicones, but the consumers prefer natural ingredients to protect and repair the hair. The challenge was to develop a natural ingredient for thermal protection. We developed SymHair Thermo combining 3 different molecular weights: extraction of a mushroom from Traditional Chinese Medicine, rich in polysaccharides, hyaluronic acid (Heterosaccharide) obtained by biotechnology and a monosaccharide (Fructose). This unique composition has a film-forming action/effect around the hair surface that protects the fiber against damages. The results are comparable to those of the heat-protectant silicones, a traditional synthetic ingredient. Besides the thermal protection, the use of this ingredient in formulations makes hair styling easier, which means less need for heat exposure (hairdryer, flat iron, curling iron, others). Also, it insures long lasting styling effects even in high humidity environments. The evaluation was done by protein loss analysis and DSC study to prove the heat  protection effect, and the styling assessment was provided by Rumba system. Product benefits: Natural ingredient based on TCM mushroom for thermal protection. Efficiently protects the hair fiber from heat damages. Brings a long-lasting styling effect even in high humidity environments. Makes the hair easy to style, decreasing the heat exposure. Renewable source – 100% natural Biodegradable Cosmos approved Vegan

Poster Language: English Category: Personal Care / Skin Care A physical barrier between the inside and the outside, the skin is one of the most responsive organs to external aggressions, especially UV. They strongly impact the skin cell DNA, leading to structural and functional alterations of the different skin’s layers. More precisely, in the epidermis, keratinocyte stem cells display a particular photosensitivity to UVA. Indeed, DNA lesions induced by UVA in keratinocytes are associated to a weakening of their self-renewal potential, also called “stemness”, compromising their long-term health. Experts in sourcing, plant extraction and cell biology have put their knowledge together to develop SOLASTEMIS™. The ingredient acts at the heart of the epidermis mechanics, by protecting the DNA of keratinocytes from lesions induced by UVA but also by boosting endogenous DNA repair capacity. Doing so, it preserves the stemness potential of the epidermis, ensuring proper and long-lasting skin homeostasis. Furthermore, it also offers a shield for the dermis by protecting key proteins (collagen, elastin) from degradation generated by UV in general. SolastemisTM was tested through a double-blind study versus placebo on a panel of 33 Caucasian women, aged from 37 to 55, of all skin types. An array of methodologies has been used to assess its capacity to reduce cutaneous symptoms associated with photoaging. Results show a significant reduction of crow’s feet wrinkles combined with an overall improved skin smoothness. Skin tone is embellished for a more lucent, even, and healthier complexion.  Active molecules are extracted from Sechium edule, a fruit cultivated and manually harvested in the majestic Cirque of Salazie, on La Réunion island. The extraction through Gattefossé patented “NaDES” solvent makes it possible to obtain an eco-designed ingredient (99.85% natural origin content - ISO16128) associated with high biological performances.

Poster Language: English Category: Personal Care / Decorative, Hair and Skin Care Silicones are undoubtedly versatile ingredients and cannot be easily substituted. Different molecular weights, different branching or addition of groups give them multiple properties that are difficult to match otherwise. On today’s market, many products are trying to replace these precious silicones, either for regulatory reasons or because of biodegradability issues. The main technologies being used today are based on two types of chemistry: esters with a silky touch or mixtures including volatile alkanes. In both cases, the alternatives aim to copy the sensory perception of the skin. There are no real solutions for the hair sector for care, in term of shine or detangling. Similarly, makeup lacks alternatives to disperse pigments or achieve precious touches without drying skin out. What can be used as a replacement for dimethicone? P2 Science has taken on this challenge and developed real, alternatives, biodegradable, to decried silicones, dimethicone being one of them. These innovative products with unique INCI names are truly special. Stemming from green chemistry, these ingredients offer real performance features for the skin, hair or make-up sector. The Citropol® raw materials manage to combine these elements while being absolutely safe for human use. Based on recycled waste from the paper industry and thanks to a patented, low-energy process, these polycitronellol polymers will revolutionize the cosmetics industry. During the Forum for Innovation poster exposition at the SEPAWA® CONGRESS, we will present scientific data on the anti-soaping effect of these ingredients and their performance in dispersing pigments. We will show the results of bluffing skin sensory panel tests and reveal hair data based on recognized scientific methods such as DSC (Differential scanning calorimetry), for the thermal resistance of the hair fiber along with pictures of the use of these ingredients in practical applications in hair salons.

Poster Language: English Category: Personal Care / Skin Care In our modern world, there is a constant desire for globally compliant and versatile solutions in personal care. SymClariol (decylene glycol) is our China compliant cosmetic ingredient that tackles the multiple aspects of personal hygiene. The molecule’s lipophilic nature and anti-microbial profile make it an ideal multifunctional candidate for cosmetic hygiene products from scalp to toe. We are going to present new concepts ranging from anti-dandruff and zinc pyrithione replacement or facial hygiene to foot care.

Poster Language: English Category: Home Care / Cleaning Agents More now than ever, powder detergent manufacturers are challenged by increased competitiveness in a declining market, cost pressure due to price volatility, shortages and disruptions in the supply chain of raw materials. While those are the surrounding market conditions, we’re also seeing an increasing pressure from NGOs in raising consumers’ awareness of the use of petrochemical-based ingredients they consider should be avoided, like unsustainable common whiteness/brightness technologies, with particular focus on sustainable origin and biodegradability of ingredients. Concurrently, German retailers are setting ambitious green targets, signaling their choice in setting strict green requirements to products and suppliers, also within the household care segments. How can detergent manufacturers avoid the risk of rejection by consumers and retailers? How could they remain competitive, while addressing the lack of innovation and quality erosion that solely controlling cost and maintaining old formulations would bring? Imagine if there was a technology coming from nature that could help you saving up to 8% of total formula cost, replacing unsustainable petro-based technologies for colors and whites and maintaining, or even improving, brightness and whiteness performance of your powder formula. It sounds utopious, but is now actually possible. Inspired by nature, Novozymes is excited to share the launch of Luminous® 100T our latest cost saving, biological solution for whiteness and brightness in powder laundry. Luminous® 100T poses a solution to many of the market challenges we see today and is a first step in the direction of mainstreaming biological detergents.

Poster Language: English Category: Sustainability / Environment Climate protection, reduction of greenhouse gas emissions and saving of fossil resources are key elements for a more sustainable future. Consumers are rightfully concerned about sustainability and the ethical footprint of the products daily used, therefore cosmetic manufacturers focus on sustainable solutions. Listening to this market demand, Thor has designed the new Microcare® Eco product range, based on the Biomass Balance concept, becoming the answer to a real need. Through sustainable processes and innovative ingredients, we help to protect cosmetic products while reducing carbon emissions and environmental damage, making sustainable choices more accessible by reducing our impact on the planet.

Poster Language: English Category: Home Care Toxicological and environmental risk profiles of commonly employed disinfectants known as quaternary ammonium compound (quats)—specifically alkyldimethylbenzylammonium chloride (ADBAC) and didecyldimethylammonium chloride (DDAC)—are explored and compared against risks posed by a new to market chemical disinfectant: Glyclean™ D glycolic acid. Factors such as chemical decomposition in the environment, bioaccumulation, aquatic toxicity, pulmonary fibrosis, reproductive impairment, and antibiotic resistance are explored. Glyclean™ D glycolic acid is shown to be an inherently safer disinfectant, and a powerful active agent to add to the Clean & Disinfect formulator’s tool box.

Date: Wednesday, 26 October 2022 - Friday, 28 October 2022 Room: Foyer 2nd Floor

Poster Language: English Category: Fundamental Research Detergents play an important role in fundamental research, industry, and daily life. Owing to their amphiphilic properties, their applications range from disinfection and cleaning to protein extraction and drug discovery. For most applications, suitable detergents are identified by empirical screenings, which can drive up the time and costs of projects. To circumvent this problem, design guidelines are required to accurately predict the optimal structure of detergents for a given application. However, establishing such guidelines through structure-property relationship studies has been hampered by the fact that in most cases, the detergents being compared often differ in more than one structural parameter. Furthermore, currently available strategies for the synthesis of detergents only allow for production of molecular structures within a chemical space with limited variability in terms of polarity and molecular shape. These molecular properties are determining factors in applications. Therefore, new design concepts are needed to facilitate the optimization of detergents for applications. Herein we report a new strategy for the facile preparation of a novel class of designer detergents with tailor-made properties. Our combinatorial synthesis enables the fusion of different detergent head groups into hybrid detergents. Notably, this strategy provides a choice between high-throughput preparation of detergents for small-scale applications, and large-scale production of individual detergents. Compared to existing procedures, our strategy can afford detergents in a much wider range of molecular properties. Furthermore, it provides an easy access to a yet unexplored part of the detergentome (entirety of all detergents). Our combinatorial synthesis allows to readily modulate the polarity and molecular shape of amphiphiles, thus enabling the preparation of hybrid detergents with scalable properties. We anticipate this technology will lead to the establishment of accurate design guidelines that will enable the optimization of detergents for different applications in the future.

Poster Language: English Category: Fundamental Research Keywords: surface activity, dicationic ionic liquids,  Certainly, surface active ionic liquids (SAILs) seem to be a group of chemical compounds that have made a breakthrough in chemical research. The phenomenon of SAILs allows the design of compounds by a combination of the desired cation and anion with the targeted physicochemical properties. The ion responsible for surface properties consists of both hydrophilic and hydrophobic fragments. Their effective reduction of surface tension predicts the replacement of traditional surfactants. The wide interest in these compounds results from their unique structure, which allows them for facile adsorption on the water-air interface. Over the past few years, a significant number of articles have been published to assess the biological application of dicationic ionic liquids. Thus, these types of surfactants were used as antibacterial agents in drugs or disinfectants in many biomedical products. In addition, dicationic ionic liquids have been useful in agronomy as insect repellents or may be a good weed control agent.  The aim of this study was to investigate the surface activity in the aquatic environment of dicationic ionic liquids based on natural anions. The basic interfacial parameters that include the critical micelle concentration (CMC), surface tension in the CMC (γCMC), the adsorption efficiency (pC20), surface excess (Γmax), the minimum surface occupied by a single molecule (Amin) were investigated and compared. Knowing that the compounds obtained are effective in limiting the feeding of adult and larvae confused flour beetle (T. confusum), it was decided to correlate the deterrent activity with the surface properties of analyzed dicationic ionic liquids. Accordingly, it was found that the deterrent activity of the studied compounds increases with increasing wetting ability.  This work was funded by the Ministry of Education and Science in Poland 0912/SBAD/2209.

Poster Language: English Category: Fundamental Research The structural characterization of membrane proteins in their native state has attracted increasing attention as interactions of drugs with membrane proteins are of fundamental importance for the development of new drugs. Native mass spectrometry (nMS) has proved to pose a valuable analysis technique which is capable of analysing isolated membrane proteins. However, successful purification and analysis of native membrane proteins in complex with lipids heavily depends on the selection of detergents. In order to develop a quantitative criteria for the development of suitable detergents, we hypothesized that the utility of detergents for the purification of native membrane proteins can be optimized by means of the hydrophilic-lipophilic balance (HLB). A series of first-generation, dendritic oligoglycerol detergents ([G1]-OGDs) with HLB values between 7 and 14 and varying lipophilic segments were synthesised and tested for the purification of several membrane proteins, such as the fluorescently labelled bacterial aquaporin channel AqpZ-GFP or the thermostabilized mammalian neurotensin receptor NTSR1. Our results show that pushing the HLB values of [G1]-OGDs into the range of 11.2 - 12.6 delivers detergents that are suitable for the extraction of large quantities of intact membrane proteins from biological membranes. Furthermore, these [G1]-OGDs also enabled the purification and nMS analysis of intact membrane proteins in one go. Translating this knowledge into a molecular detergent structure revealed the best building block combination to be a hydrophilic triglycerol head group and a lipophilic dodecyl alkyl chain. This leads us to the conclusion that the HLB system can serve as a guide for the optimization of the lipophilic tail in detergents to enable the purification of large membrane protein quantities. Utilizing the observed correlation between the HLB value and the detergent’s membrane protein purification performance could simplify the development of detergents for the purification and analysis of yet not successfully analysed membrane proteins.

Poster Language: English Category: Fundamental Research The control of biofouling in aqueous environments ranging from biomedicine to sensor technology is a major problem (e.g. for implants, sensors or ship paints), the case of marine technology presenting a particular challenge. In the general thrust to overcome the hitherto employed solution using (and releasing) biocides, strongly hydrophilic polymer surfaces made of zwitterionic polymers have shown promising low-fouling properties together with high biocompatibility. In particular hydrogel films of copolymers incorporating sulfobetaine monomers can strongly reduce the non-specific adsorption of proteins, diatom and bacteria; still, further improvements are necessary. First, the antifouling performance depends both on the specific zwitterionic building block and the specific foulant(s) studied. Also up to now, predictive structure-property relationships between polyzwitterions and their fouling behaviour could not been established. Furthermore, field assays in marine environment revealed a huge discrepancy of the antifouling performance compared to lab assays, due to silt uptake into the a priori highly performing weakly cross-linked zwitterionic coatings. Thus, the combination of mechanical stability and antifouling properties in one system is crucial for marine applications to maintain antifouling performance and increase service life. The increase of crosslink density is an attractive option to improve the mechanical performance of such films, yet, a concomitant higher content of hydrophobic components may counteract the antifouling properties. Therefore, we are exploring strategies to increase the mechanical stability while keeping hydrophilicity high. Systematic studies of crosslink content, the zwitterionic moiety’s structure and fouling resistance shall deepen structure-properties relationships.

Poster Language: English Category: Fundamental Research Oleic acid is an interesting renewable starting material for the synthesis of new monomers that may be useful for application in adhesives and coatings.[1,2,3]  Esterification of the carboxylic group and epoxidation of the internal double bound followed by ring opening reaction of the epoxy group formed using imidazole results in a starting material for a broad variety of new ionic liquids.[1]  In this work methanol, iso-propanol, and n-butanol were used for the esterification reaction resulting in methyl oleate, iso-propyl oleate, and n-butyl oleate in high yield.  Epoxidation of the oleates resulted in the corresponding epoxy compounds in high yield as well.  However, the yield on imidazole substituted stearates obtained by epoxy ring opening reaction of the epoxy compounds with imidazole was lower.  In a further reaction step, quaternization of the imidazole structure was carried out either with methyl mesylate or various alkyl iodides resulting mostly in room temperature ionic liquids. Rheological investigation[4] of the imidazolium mesylate substituted stearates showed Newtonian behavior in shear rate dependent measurements between 0.1–100 s-1.  Viscosity of the imidazolium mesylate substituted methyl stearate was higher compared to both the imidazolium mesylate substituted iso-propyl stearate and the imidazolium mesylate substituted n-butyl stearate. Interestingly, the imidazolium mesylate substituted stearates are water soluble ionic liquids although corresponding imidazolium iodide substituted stearates do not show water solubility.  Therefore, water soluble imidazolium mesylate substituted stearates open new possibilities for application as surfactants. References [1] S. Walther, V. Strehmel, ChemistrySelect 2019, 4, 4679-4681. [2] W. Maaßen, S. Oelmann, D. Peter, W. Sowald, N. Willenbacher, M.A.R. Meier, Macromol. Chem. Phys. 2015, 216, 1609-1618. [3] B. Sanay, B. Strehmel, V. Strehmel, , Chemistry Select 2019, 4, 10214-10218. [4] The authors gratefully acknowledge SEPAWA e. V. for kindly sponsoring the rheometer MCR 302 from Anton Paar that was used for the rheological measurements.

Poster Language: English Category: Fundamental Research The polymerization of monodisperse water-in-monomer emulsions results in monodisperse macroporous polymers with non-spherical pores that have layered pore walls. We identified that this morphology is caused by surfactant diffusion and phase separation during polymerization. Solid polymer foams combine the advantageous properties of foams and polymers. The resulting materials are both light-weight and insulating. However, the properties to some degree depend on the structure which is not easily customized using common production methods of polymer foams. Using monodisperse water-in-monomer emulsions as polymerization templates solves this issue, though also raising another question: why does the shape of the pores changes from a spherical template to a polyhedral polymer foam when a water-soluble initiator is used? We studied the morphology of macroporous polymers with varying surfactant mass fractions that were polymerized from emulsion templates. The structure as well as size of the pores and the thickness of the layers was determined via scanning electron microscopy. In addition, a ternary phase diagram that simulated the polymerization was conducted to study the response of monomer/surfactant mixtures to polymerization. We found that the higher the surfactant concentration, the thicker the porous inner layer of the wall, thus indicating a diffusion process of excess surfactant molecules into the inner monomer phase caused by phase separation between monomer and polymer during polymerization. This process also causes some of the surfactant molecules to diffuse onto the water-monomer interface, thus enabling the latter to increase its area and changing the pore shape from spherical to polyhedral.

Poster Language: English Category: Fundamental Research In industry, foams are often required for part of a process but can be detrimental in downstream processes. Traditionally to control undesired foam, antifoaming and/or defoaming agents are used. Unfortunately, these additives change the composition of the foaming solution preventing the recovery and reuse of the foaming agent. A solution to having foam control without additional chemicals is using a molecule that can be switched between being a surfactant and being a defoaming agent. Such molecules are called switchable surfactants, they can be switched between a form that has significant surface activity (the ‘‘on’’ form) and a form that has less surface activity or less capability of stabilizing a foam (the ‘‘off’’ form). CO2 is an advantageous pH trigger for this process as it is non-toxic, inexpensive, and does not lead to salt buildup as can occur with acids and bases. While the bulk of attention has been on CO2-switchable surfactants with switchable head groups, we have designed CO2-switchable surfactants where the surfactant head group is permanently anionic, cationic, or nonionic and the CO2-responsive group is placed in the middle of the hydrocarbon tail. Under air, the CO2-responsive group is neutral and acts as part of the hydrophobic tail. When this form of the molecule is added to water and energy is applied, a stable foam is produced. In the presence of CO2, the CO2-responsive group in the tail becomes protonated and reduces or disrupts the amphiphilic nature of the molecule, which in turn, disables the molecule's ability to stabilize a foam. These surfactants are advantageous in industrial applications where foam is needed under air. When the foam is no longer desirable, CO2 can be added to the system, thus providing easier post-processing and recycling of the surfactant solution.

Poster Language: English Category: Fundamental Research The hydrophilic-lipophilic-deviation (HLD) concept can be used as a guidance for surfactant/oil/water formulations. In contrast to the hydrophilic-lipophilic-balance (HLB) concept, the HLD model also considers formulation related parameters including oil type, temperature, and salinity. For surfactant mixtures, HLD model considers an ideal mixing behavior which usually deviates from reality. In this work, a mixture of anionic/ non-ionic and polyglucoside, ternary surfactant mixture has been selected and its phase behavior with Isopropyl Myristate (IPM) has been studied to address the non-ideality mixing behavior. The surfactant/oil/ water (SOW) phase behavior was studied via dynamic salt scan where the conductivity of the SOW system was measured in situ by changing the salinity and the optimum salinity S* was detected by phase inversion. The optimum salinity of the model was compared to the experimental value and the non-ideality term was calculated. Finally, the deviation from ideal mixing behavior was discussed by possible interaction between the individual surfactant components in the mixture.

Poster Language: English Category: Fundamental Research Plasma membranes of procaryotes consist of a large share of lipids such as phosphatidylglycerols. In this study the role of charged lipids in the plasma membrane is investigated with respect to the interaction with the antiviral saponin aescin in the membrane. Aescin is a bio-surfactant which can be found in the horse chestnut and is known for its anti-inflammatory, anti-exudative, anti-oedematous and venotonic properties. Small unilamellar vesicles (SUVs) made of 1,2-dioleoyl-sn-glycero-3-phosphoglycerol (DOPG) with different amounts of aescin are analysed. DOPG has a main phase-transition temperature of -18 °C from which results that only the liquid phase (Lα) is accessible. SUVs with different aescin amount between 0 and 50 mol% are analysed by Cryo-TEM imaging, small angle neutron and X-ray scattering (SANS/SAXS) and wide angle X-ray scattering (WAXS). Cryo-TEM imaging shows that DOPG without aescin, as well as DOPG with 50 mol% aescin, forms vesicles. Small angle scattering data are evaluated with the Kratky-Porod (KP) and Modified-Kratky-Porod (MKP) method as well as by the Guinier approximation. Afterwards the small angle scattering data is Fourier transformed with the software package GIFT by Otto Glatter and the electron density distribution is analyzed by using DECON. Furthermore, wide angle scattering data is analyzed by using Lorentzian fits to determine the chain-chain correlation distance. Complete miscibility of DOPG and aescin is found even at a lipid/saponin ratio of 1:1.

Poster Language: English Category: Fundamental Research Amino acid based surfactants commonly exhibit environmental friendly and mild properties, but are often structurally limited to acylation or alkylation of the N- or C-terminus. Combination of hydrophobic dienes and amino acids via Diels-Alder-reaction using anhydrides as linkers offers access to an enhanced structural diversity. Employing dienes and linkers of varying structure allows easy modification of the hydrophobic chain, while the natural occurring amino acids allow an alteration of hydrophilicity and charge from a toolbox of twenty different head groups. Application of myrcene from pine-trees with platform chemicals maleic anhydride or citraconic anhydride as linkers gives access to a structurally diverse set of fully bio-based surfactants. The synthesis and characterization of these surfactants with a range of amino acids will be shown. Applying microwave-assisted reaction conditions allows fast and selective synthesis of fatty-acid-like hydrophobic two-component structures. Subsequent anhydride-opening via condensation with amino acids proceeded easily in aqueous solution. By this method, natural occurring amino acids were converted with very good yields of up to 90 %. Initial physicochemical characterization revealed that the addition of the amino acid head-group significantly enhances the molecules amphiphilic character; in dependency of the used amino acid resulting in weak to strong amphiphilicity. Foam build up and reduction of surface tension was observed; however, foam stability was often low. Upon reducing the pH-value to skin-friendly pH 5.6, significantly more stable foam was produced. Application of polar, cationic amino acids arginine and lysine resulted in higher foam stability and best surface activity.

Poster Language: English Category: Fundamental Research Over the past two decades, the automatic dishwasher detergent (ADW) market has developed a wide variety of new and innovative detergent formulations in response to market demands, cost of raw materials, and regulatory requirements. One of the most significant challenges posed to North American and European formulators of ADW powders, liquid gels, tablets, and capsules in recent years has been the development of effective and economic builder alternatives and overall detergent formulations to address the progressive reduction and eventual ban of tripolyphosphate (TPP) from ADW, which occurred in 2010 (USA) and 2017 (EU). This paper investigates the evolution in the chemical formulation of USA and EU ADW from the early 2000s until 2019, in response to these regulatory changes. The chemical composition data used in this study are from the Battelle World Detergent Program, which has monitored chemical formulation changes in home consumer products since the early 1990s. The data discussed in this paper have been produced using various analytical techniques and include the quantification and characterization of surfactants, builders (phosphates, zeolite, silicate, carbonate, organic acids), bleach and bleach activator, enzymes, polymers, and other components present in ADW commercialized in the US and EU over the past decades. The data interpretation provides insight into the different alternatives developed by major formulators, local producers, and producers of eco-friendly ADW in the US and EU markets in response to the tripolyphosphate ban.

Poster Language: English Category: Fundamental Research News headlines in the past years highlight both the importance of cleaning products in the daily life and the need for more sustainable products that help reduce the environmental impact of our lifestyle. The European Commission (EC) proposed the use of Critical Dilution Volume (CDV) limits as one of the criteria (along with the absence of endocrine disrupting chemicals, anaerobic biodegradability of surfactants, and various other criteria) for Ecolabel products to help citizens in choosing safe cleaning products with reduced environmental impacts. This paper applies the CDV to investigate the "eco-friendliness" of laundry detergent products commercialized in the USA and EU from the early 2000's to 2019. In this study, the chemical composition data are from the Battelle World Detergent Program, which has monitored chemical formulation changes in home consumer products since the early 1990’s. In addition to the quantification and characterization data of surfactants, builders, bleach systems, enzymes, polymers, and other components provided by the Battelle database, product composition information provided by formulators are used when available. CDV for laundry detergents are calculated according to the EU Ecolabel for detergents and cleaning products manual (2017). The dosage of the detergents is from the producers. The degradation rate and toxicity factor of each chemical of the formulation are from the Detergent Ingredient Database (DID-list) (2016). Data analysis focuses on the changing CDV in liquid and capsule laundry detergents commercialized over the past two decades in the USA and EU. The data analysis includes the difference between eco-marketed and standard products in the two markets and as well comparison between main producers and local formulators.

Poster Language: English Category: Fundamental Research To reduce the carbon footprint of surfactant containing products, one approach is the employment of biosurfactants like rhamnolipid. This implies the challenge to formulate the rhamnolipid with other surfactants to obtain synergistic combinations. Hence, the phase behavior of quaternary mixtures was analyzed by optical means between crossed polarization filters. The analyzed mixtures contained the ionic and very hydrophilic rhamnolipid (pH = 8), pure ethoxylates CiEj with different numbers of ethoxylate groups (j = 2-4) and chain lengths (i = 10-14), n-decane as oil and an aqueous buffer solution. By analyzing the phase behavior of the emerging microemulsions, the optimal surfactant ratios and efficiencies could be evaluated. These results were related to the semi-empirical HLD concept. It was found that hydrophobic co-surfactants, which are ethoxylates with a longer chain length and a small number of ethoxy groups, led to efficient microemulsions. However, the co-surfactant C12E2 displayed an exceptional behavior which was detected by varying the temperature.

Poster Language: English Category: Fundamental Research There is growing consumer-driven demand to replace petroleum-based surfactants used in various household products with environmentally friendly alternatives. Biologically derived surfactants, or biosurfactants, are a promising class of molecules which may be suitable towards this end. However, separate from challenges in producing these materials which have been increasingly addressed throughout the last decade, formulations built around these new surfactants must perform competitively compared to existing formulations. There are a number of subclasses of biosurfactant molecules and modifications which can be made to those. Formulation scientists are in need of lucid design principles for reformulating existing products using this set of ingredients. We believe that this presents an optimization challenge which molecular simulation is well-equipped to solve. In this work, we demonstrate how physics-based molecular simulation paired with chemistry-aware machine learning can aid in the prospective design of new formulations. Simulation trivializes the enumeration of possible formulation compositions, allowing us to systematically study and gain a molecular-level understanding of surfactant aggregates at a variety of conditions. We test aqueous mixtures of four different types of biosurfactants at various concentrations and pH and present our analysis of aggregate size, shape and composition as well as solution properties such as viscosity and diffusivity. We use the outputs of these simulations to parameterize machine learning models capable of predicting properties of untested formulations based only on ingredients and composition.