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Search results for: IN SILICO HYDROLYSIS
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3D point cloud as a representation of silo / tank
Open Research DataThe product presents a point cloud in the set of coordinates X Y Z. The data was obtained by terrestrial laser scanning and its processing for the analysis of tanks geometry. The development process indicates the possibility to obtain the reliable results useful for the evaluation of the tank side surfaces geometry.
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Aravind Ayyolath
PeopleI am interested in the biology of bacterial stress response and its growth under stress conditions. Our lab focuses on two aspects; protein folding and lipopolysaccharide biosynthesis and we address them with Escherichia coli models. Our recent studies have provided more evidence regarding several genes involved in the survival of bacteria under stress. I am also interested in disease biology and also in identifying proper therapeutic...
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The Influence of Slice Thickness, Sharpness, and Contrast Adjustments on Inferior Alveolar Canal Segmentation on Cone-Beam Computed Tomography Scans: A Retrospective Study
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New ceramic materials derived from pyrolyzed poly(1,2-dimethylsilazane) and starch as a potential anode for Li-ion batteries
PublicationNewmaterialswere obtained by pyrolysis of starch (S) and poly(1,2-dimethylsilazane) (PSN) (weight ratio: PSN/S 30/70) at temperature a) 500 °C, b) 700 °C and c) 900 °C. Ceramic materials were characterized by infrared spectroscopy, TGA, Raman spectroscopy and SEM. New Si\O and shifted Si\C stretching vibration modes emerged confirming direct interaction between silicon originating fromsilazane and oxygen coming fromstarch. The...
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Buckling resistance of a metal column in a corrugated sheet silo - experiments and non-linear stability calculations
PublicationThe results of experimental and numerical tests of a single corrugated sheet silo column’s buckling resistance are presented in this study. The experiments were performed in a real silo with and without bulk solid (wheat). A very positive impact of the bulk solid on the column buckling resistance occurred. The experimental results were first compared to the buckling resistance calculated by Eurocode 3 formulae. The comparison revealed that...
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Application of electrical capacitance tomography (ECT) to measurement of sand concentration changes during silo flow
PublicationW artykule przedstawiono wyniki doświadczeń pomiaru zmian koncentracji materiału granulowanego podczas przepływu silosowego. Zmiany zostały pomierzone przy pomocy tomografu. Doświadczenia wykonano w silosie cylindrycznym dla 2 różnych szorstkości ścian.
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Investigations of shear localization during granular silo flow with non-local hypoplastic Constitutive Model
PublicationW artykule przedstawiono wyniki numerycznej analizy lokalizacji odkształceń w materiałach granulowanych podczas przepływu w silosach. Obliczenia wykonano przy zastosowaniu metody elementów skończonych w podejściu ALE i mikropolarnego modelu hipoplastycznego. Pokazano wpływ szorstkości ścian silosu i zagęszczenia materiału sypkiego na typ lokalizacji.
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Hubert Cieśliński dr hab. inż.
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Asfalteny jako fazy stacjonarne w chromatografii cieczowej w normalnych układach faz
PublicationRozprawa doktorska dotyczy zbadania możliwości wykorzystania asfaltenów wydzielonych z: próżniowej pozostałości ropy naftowej, produktów jej utleniania i naturalnego asfaltu jako fazy stacjonarnej na powierzchni sorpcyjnej żelu krzemionkowego do rozdzielania nisko polarnych organicznych związków chemicznych w warunkach chromatografii cieczowej w normalnych układach faz, w odniesieniu do żelu krzemionkowego jako nośnika. Opracowano...
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublicationInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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The Syntheses and Crystal Structures of the First Disiloxane-1,3-dithiol and Its Cadmium Complex.
PublicationThe new silicon–sulfur compound: disiloxane-1,3-dithiol was obtained from silicon disulfide and 2,6-diisopropylphenol in a reaction catalyzed by imidazole or 4-(dimethylamino)pyridine (DMAP). Crystal structure of disiloxane–1,3-dithiol reveals a close-to-linear Si–O–Si angle and a mutual trans position of the two hydrosulfido groups. The compound forms a chelating mononuclear complex with cadmium ions.
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Determination of pterins in urine by HPLC with UV and fluorescent detection using different types of chromatographic stationary phases (HILIC, RP C8, RP C18)
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The Impact of Adjacent Road on Vascular Plant Species Composition in Herbaceous Layers of Peucedano-Pinetum and Tilio-Carpinetum Urban Forests in the City of Warsaw (Poland)
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Removal of phenolic inhibitor compounds from hydrolysates and post-fermentation broths by using a Hydrophobic Magnetic Deep Eutectic Solvent
PublicationHydroxymethylfurfural (HMF), furfural (FF), hydroquinone (HQ), and vanillin (VAN) are among the main inhibitors generated during most of biomass pre-treatments prior to fermentation processes. They are recognized as toxic to several fermentative microorganisms and therefore cause a decrease in biohydrogen or biofuel production (after hydrolysis). Moreover, if they are released into aqueous solutions (after fermentation), they can...
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Development of SPME fiber coatings with tunable porosity for physical confinement of ionic liquids as an extraction media
PublicationExtending the use of ionic liquids in sample preparation techniques remains a challenge. This paper presents procedures enabling the easy application of ionic liquids to the SPME technique. For this purpose, two approaches for producing a porous silica coating on a metal rod were investigated. Two silica precursor and porogen systems were used in the research: K2SiO3 + Formamide and Tetramethyl-orthosilicate + Polyethylene oxide....
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublicationThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Analysis of the bulk solid flow during gravitational silo emptying using X-ray and ECT tomography
PublicationW pracy przedstawiono wyniki pomiarów zmian koncentracji piasku bezkohezyjnego zachodzących w prostokątnym modelu silosu opróżnianym grawitacyjnie. Pomiary wykonano z zastosowaniem kontynualnego promieniowania rentgenowskiego oraz z użyciem tomografii pojemnościowej. Badania wykonano dla zróżnicowanego zagęszczenia początkowego piasku oraz różnego stopnia szorstkości ścian. Szczególny nacisk położono na zachowanie sie materiału...
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Impact of Geometrical Imperfections on Estimation of Buckling and Limit Loads in a Silo Segment Using the Vibration Correlation Technique
PublicationThe paper examines effectiveness of the vibration correlation technique which allows determining the buckling or limit loads by means of measured natural frequencies of structures. A steel silo segment with a corrugated wall, stiffened with cold-formed channel section columns was analysed. The investigations included numerical analyses of: linear buckling, dynamic eigenvalue and geometrically static non-linear problems. Both perfect...
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Quantitative estimation of volume changes of granular materials during silo flow using X-ray tomography.
PublicationW artykule przedstawiono wyniki badań doświadczalnych nad zmianami objętościowymi materiału granulowanego podczas przepływu silosowego. Badania wykonano przy zastosowaniu tomografii rentgenowskiej. Wyniki porównano z wynikami doświadczalnymi przy zastosowaniu cyfrowej obróbki zdjęć płynącego materiału.
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SEM inwestigation of the silver nanostructures
Open Research DataSilver thin films with a thickness of 1nm, 3nm, 5nm, 7nm and 9nm were deposited by a table-top magnetron sputtering unit in a pure argon plasma from a high-purity silver target. Silicon wafers was used as a substrates. As-deposired films were annealed in Ar atmosphere at 550 Celsius degree for 15 minutes.As a result of annealing, Ag nanostructures formed...
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Optimizing Ni–Cr patterned boron-doped diamond band electrodes: Doping effects on electrochemical efficiency and posaconazole sensing performance
PublicationThere is growing interest in developing diamond electrodes with defined geometries such as, for example, micrometer-sized electrode arrays to acquire signals for electroanalysis. For electroanalytical sensing applications, it is essential to achieve precise conductive patterns on the insulating surface. This work provides a novel approach to boron-doped diamond patterning using nichrome masking for selective seeding on an oxidized...
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Effect of the dye amount on physical properties of silicone pressure sensitive adhesives Wp�yw ilo�ci barwnika na fizyczne w�a�ciwo�ci silikonowych klej�w samoprzylepnych
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Evaluation of solid phase extraction for downstream separation of propane-1,3-diol and butan-1-ol from fermentation broth
PublicationGlycerol is mainly a by-product of fat splitting and biodiesel production. This study examined the use of chemically modified silica gels for downstream separation of propane-1,3-diol and butan-1-ol from fermentation broths obtained through the glycerol fermentation process. The developed method was found to be simple and efficient for the isolation and purification of butan-1-ol from the other components in the fermentation mixture....
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Acetate-Induced Disassembly of Spherical Iron Oxide Nanoparticle Clusters into Monodispersed Core−Shell Structures upon Nanoemulsion Fusion
PublicationIt has been long known that the physical encapsulation of oleic acid-capped iron oxide nanoparticles (OA−IONPs) with the etyltrimethylammonium (CTA+) surfactant induces the formation of spherical iron oxide nanoparticle clusters (IONPCs). However, the behavior and functional properties of IONPCs in chemical reactions have been largely neglected and are still not well-understood. Herein, we report an unconventional ligand-exchange...
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Kluczowe zagadnienia procesu recyklingu zużytych modułów fotowoltaicznych I i II generacji
PublicationW ramach technologii fotowoltaicznych wyróżniamy obecnie trzy generacje ogniw fotowoltaicznych. Pierwsza z nich to ogniwa z mono- i polikrystalicznego krzemu (c-Si), druga obejmuje ogniwa wykonane na bazie technologii cienkowarstwowej, zarówno z krzemu amorficznego (a-Si) jak i diseleneku indowo-miedziowo-galowego (CIGS), tellurku kadmu (CdTe) oraz arsenku galu (GaAs). Trzecia generacja to najnowsze technologie, takie jak: organiczne...
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Comparison of classical and modern approach of determination of highly polar compounds by High Performance Liquid Chromatography coupled with Tandem Mass Spectrometry
PublicationAbstract: Sugars and sugar alcohols are known as highly polar compounds. Four analytes were taken into consideration for comparison of classical and modern approach of separation of highly polar substances. Mannitol was chosen as an example of simple sugar alcohol, sucrose and lactulose as examples of disaccharides and structural isomers, raffinose as an example of complex trisaccharide. Raffinose was also used as internal standard...
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Application of Particle Image Velocimetry method for monitoring the volume changes during silo flow on the basis of X-radiographs
PublicationW artykule przedstawiono wyniki badań nad zastosowaniem techniki pomiarowej PIV (Particle Image Velocimetry) do analizy zmian objętościowych zachodzących w materiale sypkim w czasie opróżniania silosu prostokątnego. Jako mateirły do analizy wykorzystano cyfrowe radiografy uzyskane z kontynualnej rejestracji z użyciem systemu tomografii promieni X. Szcególny nacisk położono na analizę zmian objętościowych zachodzącyh w kanale przepływu.
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Combining X-ray tomogrpahy imaging and DEM simulations to investigate granular material flow during silo discharging
PublicationEven after few decades of research, the study of particle motion taking place during silo discharging hasn’t been fully addressed, both experimentally and numerically, because of nontrivial behaviors that occur during associated flow patterns. For instance, discrete element method (DEM) has shown good qualitative prediction potential of velocity profile, but, on the other hand, frequently failed to match quantitatively experimental...
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Modelling of shear zones during quasi-static granular silo flow using material point method (MPM)
PublicationThe paper focuses on confined silo flow of cohesionless sand. The problem considered is a quasi-static flow in a plane strain model silo with parallel walls simulated with the material point method (MPM). The simulation used a non-local hypoplastic constitutive model. Initially, the paper validated the implemented numerical approach with basic element tests and a plane strain compression test. The subsequent MPM calculations for...
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Tymon Kilich mgr inż.
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Chromatografia oddziaływań hydrofilowych HILIC/NH2 w rozdzielaniu mono i disacharydów oraz badaniu cukrowych frakcji eluatu z rozdzielania składników serwatki mleka
PublicationWysokosprawna chromatografia oddziaływań hydrofilowych - HILIC - HPLC, to alternatywne - w stosunku do warunków faz odwróconych RP - HPLC - warunki rozdzielania polarnych, rozpuszczalnych w wodzie składników mieszanin. Wykorzystywanie w warunkach HILIC jednocześnie kilku mechanizmów rozdzielenia, umożliwia rozdzielenie mieszanin polarnych składników, trudnych, albo niemożliwych do rozdzielania w warunkach RP, w...
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Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations
PublicationThe reaction of silicon disulfide with alkylphenols leads to tetraphenoxysilane, cyclodisilthiane and silanethiol. The products of the reaction of silicon disulfide with phenols are characterized by FT-IR, NMR, X-ray diffraction and DFT calculations. The intramolecular interactions in the compounds are mainly XH---π (X = C, S) whereas the intermolecular interactions are either very weak CH---π/CH---O contacts found in aryloxysilane...
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Unexpected Z/E isomerism of N-methyl-O-phosphothioyl benzohydroxamic acids, their oxyphilic reactivity and inertness to amines
PublicationThiophosphinoylation of N-methyl p-substituted benzohydroxamic acids using disulfanes (method A) or diphenylphosphinothioyl chloride (method B) provides only one conformer of the respective O-phosphothioyl derivative (Xray and NMR analysis). Undergoing the P-transamidoxylation reaction is an evidence of the reversibility of thiophosphinoylation. Only those products containing strong EWG substituents in the aroyl residue or bulky...
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Tuning of food wastes bioavailability as feedstock for bio-conversion processes by acoustic cavitation and SPC, SPS, or H2O2 as external oxidants
PublicationThe growing amount of food wastes makes them a suitable source for the generation of bioproducts through anaerobic digestion. Appropriate hydrolysis of the feedstock can enhance the efficiency of production of desired products. In this work, acoustic cavitation (AC) was employed as a pretreatment method to enhance hydrolysis stage by the modification of model (potato-based) food waste for increase in soluble chemical oxygen demand...
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Shiyou Xuebao, Shiyou Jiagong/Acta Petrolei Sinica (Petroleum Processing Section)
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XRD-TiO2 and SiO2
Open Research DataData contain results from XRD measurements of amorphous silica and TiO2 of antase and rutile phases. The commercial TiO2 named as P25 produced by Evonik was also analyzed.
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Modelling of full-scale silo experiments with flow correcting inserts using material point method (MPM) based on hypoplasticity.
PublicationCharakterystyki przepływu materiałów sypkich w silosach mają znaczenie dla naporów wywieranych na ściany silosu. Można je zmieniać za pomocą różnych wkładek. W pracy omówiono wyniki liczbowe dotyczące ograniczonego przepływu niespoistego ziarnistego piasku w pełnowymiarowym silosie metalowym z różnymi symetrycznie rozmieszczonymi wkładami, służącymi do korekcji wzorca przepływu (podwójny stożek, stożek w stożku i odwrócony stożek)....
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ACTA MECHANICA SOLIDA SINICA
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublicationThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Degradibility in vitro of polyurethanes based on synthetic atactic poly[)R,S)-3-hydroxybutyrate
PublicationThe aim of the paper was to determine the degradibility of aliphatic polyurethanes in hydrolytic and oxidative solutions. DSC, GPC, density, polymer surface morphology were studied.
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THE GENE CLONING, OVEREXPRESSION, PURIFICATION AND BIOCHEMICAL CHARACTERISATION OF A NEW COLD-ADAPTED β–GALACTOSIDASE FROM ARTHROBACTER SP. VII-4
PublicationINTRODUCTION. β-Galactosidase [EC 3.2.1.23] is an enzyme that catalyzes the hydrolysis of O-glycosidic linkages in galactosides. It is commercially used in dairy industry for the production of milk with reduced lactose content. Potentially, the best method for lactose removal under cooling conditions should be carried out with a cold-adapted enzyme. AIM. The aim of this study was to determine the taxonomic affiliation of the isolate...
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X-Ray diffraction of the metallic nanostructures
Open Research DataMetallic nanostructures (gold and silver) were manufactured as a thermal annealing of gold or silver thin film. Gold films with thickness of 2.8 nm were deposited on a silicon substrates using a table-top dc magnetron sputtering coater (EM SCD 500, Leica), equipped with quartz microbalance for in-situ thickness measurements. Films were deposited from...
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Investigations of porosity changes during granular silo flow using Electrical Capacitance Tomography (ECT) and Particle Image Velocimetry (PIV)
PublicationArtykuł omawia pomiary zmian porowatości podczas przepływu silosowego materiału granulowanego. Zastosowano 2 techniki: tomografie i optoelektroniczną DIC. Pomiary wykonano dla różnych początkowych zagęszczeń oraz szorstkości ścian.
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The comparison of cytotoxic and genotoxic activities of glucosinolates, isothiocyanates, and indoles
PublicationChemopreventive properties of Brassica vegetables are attributed mainly to their characteristic compounds—glucosinolates (GLs) and their main hydrolysis products—isothiocyanates (ITCs) and indoles. In this study, we compared antiproliferative activity (MTT test in HT29 cells) and genotoxic effects (comet assay in HT29 cells and restriction analysis in a cell-free system) of three GLs (sinigrin (SIN), glucotropaeolin (GTL), and...
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Sustainable Management of Food Wastes Through Cavitation-Assisted Conversion into Value-Added Products
PublicationMore than 30% of worldwide food consumption is thrown out as food wastes causing serious environmental, economic, and social problems. Therefore, it is required to develop sustainable food waste management methods leading to an enhancement in social and economic benefits and mitigation of environmental impacts. Anaerobic digestion can be regarded as one of those effective methods that can be employed for the conversion of food...
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Two-step mechanism of J-domain action in driving Hsp70 function
PublicationJ-domain proteins (JDPs), obligatory Hsp70 cochaperones, play critical roles in protein homeostasis. They promote key allosteric transitions that stabilize Hsp70 interaction with substrate polypeptides upon hydrolysis of its bound ATP. Although a recent crystal structure revealed the physical mode of interaction between a J-domain and an Hsp70, the structural and dynamic consequences of J-domain action once bound and how Hsp70s...
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Quantification of unconjugated and total ibuprofen and its metabolites in equine urine samples by gas chromatography–tandem mass spectrometry: Application to the excretion study
PublicationIbuprofen (IBU) is a widely used nonsteroidal anti-inflammatory drug (NSAID) in human and also veterinary medicine. NSAIDs are usually highly metabolized compounds in horses; they are often present in equine urine, mostly in their conjugated forms (glucuronides). Thus, hydrolysis to cleave the glucuronide linkage prior to anti-doping analysis is often necessary for improving detection. In this study, unconjugated and total IBU...
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Piotr Konieczka prof. dr hab. inż.
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Consequences of New Approach of Chemical Stability Tests of Active Pharmaceutical Ingredients (APIs)
PublicationThere is a great need of broaden look on stability tests of active pharmaceuticalingredients (APIs) in comparison with current requirements contained in pharmacopeia.By usage of many modern analytical methods the conception of monitoring the changesof APIs during initial stage of their exposure to harmful factors has been developed. Newknowledge must be acquired in terms of identification of each degradation...
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Meiothermus ruber cells as β-galactosidase activity biocatalyst
PublicationThe current study allowed to establish the possibility of using whole cells of thermophilic bacteria Meiothermus ruber as a biocatalyst with β-galactosidase activity. β-galactosidases are used for hydrolysis of lactose as well as for oligosaccharides synthesis. The advantages of using whole bacterial cells catalysis is not only elimination of tedious, expensive protein isolation and/or purification but also stabilization of enzymes...