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Search results for: GROWTH INHIBITION POTENTIAL
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Potential energy curves of LiCs dimer
Open Research DataThis data presents potential energy curves of LiCs dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron correlation. Dataset consists of 22 potential...
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Quasirelativistic potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
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Adiabatic potential energy curves of the KRb molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states have been calculated for the KRb molecule. Presented APECs correlate with 11 atomic asymptotes, starting from ground K(4s)+Rb(5s) atomic limit and ending on double-excited K(4p)+Rb(5p) atomic limit. All results of the presented...
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Born-Oppenheimer potential energy curves of the NaK molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Open Research DataThis data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
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Effects of CO2 and utilization of spent trickling liquid towards plant growth
Open Research DataDataset presents the results of biomass yield for Phaseolus vulgaris pot cultures watered with diluted trickling liquid from biotrickling filtration experiments with or without additional CO2 in air by means of introducting post-biofilter air to the plant culture.
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research DataThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
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Potential diagnostic utility of recombinant Toxoplasma gondii proteins for detecting anti-Toxoplasma gondii IgG antibodies in horses serum samples
Open Research DataToxoplasmosis is caused by an intracellular protozoan, Toxoplasma gondii, and is a parasitic disease that occurs in all warm-blooded animals, including humans. Toxoplasmosis is one of the most common parasitic diseases of animals and results in reproductive losses. Diagnosis of toxoplasmosis is currently based on serological assays using native antigens...
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Potential diagnostic utility of recombinant Toxoplasma gondii proteins for detecting anti-Toxoplasma gondii IgG antibodies in goat serum samples
Open Research DataToxoplasmosis is caused by an intracellular protozoan, Toxoplasma gondii, and is a parasitic disease that occurs in all warm-blooded animals, including humans. Toxoplasmosis is one of the most common parasitic diseases of animals and results in reproductive losses. Diagnosis of toxoplasmosis is currently based on serological assays using native antigens...
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Potential diagnostic utility of recombinant Toxoplasma gondii proteins for detecting anti-Toxoplasma gondii IgG antibodies in feline serum samples
Open Research DataToxoplasmosis is caused by an intracellular protozoan, Toxoplasma gondii, and is a parasitic disease that occurs in all warm-blooded animals, including humans. Toxoplasmosis is one of the most common parasitic diseases of animals and results in reproductive losses. Diagnosis of toxoplasmosis is currently based on serological assays using native antigens...
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The absorption and fluorescence spectra of C-1305 derivatives (IKE1-IKE8), potential antifungal agents
Open Research DataOptical measurements of C-1305 derivatives (IKE1-IKE8). The absorption spectra were recorded at 300 - 800 nm for solutions with 16 μg / mL derivative concentration. The fluorescence emission spectra were determined at 420-800 nm with the excitation wavelengths 360 or 415 nm for solutions with 1 μg / mL derivative concentration. All measurements were...
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The absorption and fluorescence spectra of novel bisacridines (IKE15-19, IKE21) and IE10, potential antifungal agents
Open Research DataOptical measurements of novel bisacridines (IKE15-19, IKE21) and IE10 were conducted. The absorption spectra were recorded from 300 to 800 nm. The fluorescence emission spectra were determined with excitation and emission wavelengths described in the file. All measurements were recorded using a multiplate reader, Tecan Spark 10M.
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IKE1-IKE3 (C-1305 derivatives) inhibitory effect of the Yeast Topoisomerase II relaxation activity
Open Research DataInhibition of Yeast Topoisomerase II were analyzed according to relaxation assay kit from Inspiralis. Briefly, 250 ng of supercoiled pBR322 DNA, 1 mM ATP, 1-200 μM of analyzed compound were mixed with reaction buffer (1 mM Tris-HCl (pH 7.9), 10 mM KCl, 0.5 mM MgCl 2, 0.2 % (v/v) glycerol). The reaction was initiated by the addition of an enzyme, allowed...
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Interaction of PDA monomers with Au
Open Research DataThis dataset contains supplementary information in the form of Electrostatic difference potential (EDP) map, density of states (DOS) spectra, and adsorption geometries of polydopamine PDA monomers on the Au surface. PDA was modelled either as the oxidised (indolequinone, IQ) and reduced (dihydroxyindole, DHI) chemistries.
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Toxoplasma godnii recombinant chimeric antigens - IgM and IgG ELISAs - mouse serum samples
Open Research DataThis study presents an evaluation of tetravalent recombinant chimeric proteins containing fragments of the Toxoplasma gondii antigens, SAG2, SAG1, GRA1, GRA2, MIC1, MAG1, ROP1 and AMA1, as potential replacements of a the soluble, whole-cell tachyzoite lysate (TLA) used in serological assays. Recombinant chimeric proteins (SAG1-MIC1-MAG1-GRA2, SAG2-GRA1-ROP1-GRA2,...
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Case Study NEB Atlas / part I - 3D Models / Brunnshög, Lund
Open Research DataThe data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to create a digital model - a simplified digital twin - for selected parts of housing estates already realised in various cities in Europe. This group presents a model for a fragment of the Brunnshög district in Lund, Sweden....
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Toxoplasma gondii recombinant chimeric antigens - IgG and IgM ELISAs - human serum samples
Open Research DataThis study presents an evaluation of tetravalent recombinant chimeric proteins containing fragments of the Toxoplasma gondii antigens, SAG1, SAG2, GRA1, GRA2, MIC1, MAG1, ROP1 and AMA1, as potential replacements of a the soluble, whole-cell tachyzoite lysate (TLA) used in serological assays. Recombinant chimeric proteins (SAG1-MIC1-MAG1-GRA2, SAG2-GRA1-ROP1-GRA2,...
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Interactions of PDA tetramers with the Au surfaces
Open Research DataThis dataset contains electrostatic difference potential (EDP) maps, density of states (DOS) spectra, and adsorption geometries of cyclic tetramers on the Au surface. The real polydopamine was modelled either as the cyclic tetramers in the oxidised (indolequinone, IQ) and reduced (dihydroxyindole, DHI) chemistries with all units being the same - either...
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Biotrickling filtration of air polluted with hexane and cyclohexane: effects of trickling liquid modification with DES solutions
Open Research DataDataset presents selected parameters monitored during processes of biotrickling filtration of air polluted with hexane and cyclohexane.
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The luminescence study of Sr2−xSrxPN3:Eu2+ nitridophosphate.
Open Research DataIn this work, a series of Ca2−xSrxPN3:Eu2+ nitridophosphate phosphors through a solid-solution strategy involving a hot isostatic press was developed by collaborators from National Taiwan University. Unexpected dual emissions in the red and infrared regions are observed, different from previous research results. The unique change in red and near-infrared...
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Collective angst and collective action for progressive city policies: study4
Open Research DataWe conducted this study before the second term of the presidential election in Poland in 2020. Conservative-nationalist President Andrzej Duda’s rival was Rafał Trzaskowski, the liberal Mayor of Warsaw supported by Civic Platform [pol. Platforma Obywatelska] party. 456 residents of Gdańsk participated in the study (313 women, 3 non-binary) with M age...
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Chromium FTW dataset
Open Research DataThis dataset contains the results of chromium and nutrients (N and PO4-P) removal in floating treatment wetland microcosm experiment with two cosmopolitan species of parennials: Phragmites australis and Iris pseudacorus.
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Open Research DataThe dataset includes relativistic continuum electron wave functions (continuum orbitals, continuum spinors) for elastic scattering of electrons from Argon (Ar), Krypton (Kr), Xenon (Xe), Radon (Rn) and Oganesson (Og) atoms, calculated using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF), at very low electron energies (0.0001 - 0.001 eV). Only...
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Case Study NEB Atlas / part I - 3D Models / King's Cross, London
Open Research DataThe data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to create a digital model - a simplified digital twin - for selected parts of housing estates already realised in various cities in Europe. This group presents a model for a fragment of the King's Cross, London, UK. The students...
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Testing of DES toxicity towards Candida subhashii
Open Research DataDataset presents results of testing toxicity of selected DES solutions in mineral salt medium towards Candida subhashii.
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Functional and spatial structure analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 1, February 2021
Open Research DataThe data presents results of work within the studies of the conditions of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 1, from February 2021. The goal of the research process was to present the functional and spatial structure analysis of the area located in Lower Sopot (Dolny Sopot) district in the...
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Values and problems analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 1, March 2021
Open Research DataThe data presents results of work within the studies of the development possibilities of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 1, from March 2021. The goal of the research process was to present the values and problems analysis of the area located in Lower Sopot (Dolny Sopot) district in the context...
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Vision of the development of transformations in the district – Lower Sopot (Dolny Sopot) district case study, study proposal no 1, April 2021
Open Research DataThe data presents results of work within the studies of the vision of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 1, from April 2021. The goal of the research process was to present the future image of the neighborhood and initial ideas of the development of transformations of the area located in Lower...
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Transition dipole moment functions of the KRb molecule
Open Research DataElectronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...
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The electrochemical studies of thin boron-doped diamond films deposited at conductive poly(lactic acid) 3D prints
Open Research DataThe dataset contains the electrochemical characteristics of the electrodes composed of thin boron-doped diamond films coated on commercially available graphene-doped polylactide acid. The boron doping level expressed as the [B]/[C] ratio in the gas phase for these studies was 500 and 10,000 ppm.
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Permanent dipole moment functions of the KRb molecule
Open Research DataElectronic permanent dipole moment functions (PDMF) have been calculated for the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states of the KRb molecule. PDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the permanent dipole moments have been...
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The database of localization and expression of aquaporin 3 (AQP3), aquaporin 7 (AQP7) and aquaporin 9 (AQP9) in the male reproductive system in cattle. Morphometric studies. Localization of zinc finger transcription factor GATA-4.
Open Research DataThe data present research results being part of the OPUS-22 project entitled “In search of new markers of male fertility in cattle. Aquaporins expression in the reproductive organs and sperm of the bulls (Bos taurus)” obtained from the National Science Center in Poland (grant no. 2021/43/B/NZ9/00204). The aim of this part of the project was (i) to determine...
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Study of the influence of medium composition on motility and aggregation of recombinant Escherichia coli strain AAEC191A/pCC90 D54-STOP-PBS, PBS+0.2% glucose, PBS+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Study of the influence of medium composition on motility and aggregation of recombinant Escherichia coli strain BL21(DE3)/pACYCpBAD-PBS, PBS+0.2% glucose, PBS+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Study of the influence of medium composition on motility and aggregation of recombinant Escherichia coli strain AAEC191A/pCC90 Dra D-mut-PBS, PBS+0.2% glucose, PBS+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Study of the influence of medium composition on the motility and aggregation of the recombinant Escherichia coli strain AAEC191A/pACYCpBAD-LB, LB+0.2% glucose, LB+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Study of the influence of medium composition on the motility and aggregation of the recombinant Escherichia coli strain AAEC191A/pACYCpBAD-PBS, PBS+0.2% glucose, PBS+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Study of the influence of medium composition on motility and aggregation of recombinant Escherichia coli strain AAEC191A/pCC90 Dra D-mut-M9 + 0.5% cassaminic acids, M9 + 0.5% cassaminic acids + 0.2% glucose, M9 + 0.5% cassaminic acids + 0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...