Amino Acid Molecules Research Articles

Computational Analyses of Amino Acid Molecules in PDE7A for Elucidating their Evolutionary Diversity and Protein Interactions in Multiple Mammalian Species

This study explores the protein interactions and evolutionary conservation of phosphodiesterase type 7A (PDE7A) across different species, to identify the species with the highest similarity to humans, which has important applications in many fields such as pharmacology, comparative biology, biochemistry, oncology, endocrinology, and reproductive sciences. Computational analyses of the amino acid sequence of this enzyme revealed a common evolutionary relationship between the selected species and humans, but camels show the most variable evolutionary lineage in their PDE7A protein over time. In searches for homologous proteins, identity analysis results for four returned amino acid sequences were as follows: 91.81 ± 4.25% (mean ± SD), while the similarity between the sequences was 94.66% ± 4.55, and analysis of BLOSUM62 (Blocks Substitution Matrix 62) yielded a minimum value of 0.901 ± 0.055. All species have closely related physicochemical properties. The computational analyses revealed conserved amino acid residues of the gene across the studied species, which likely contribute to the similar expression patterns of the PDE7A gene in various animals. The findings also suggest that rats are a suitable model for gaining deeper insights into human biology.

Investigating the synergistic effect of fish waste extract and KI on the corrosion inhibition of carbon steel in sulfuric acid solution

Biowaste has become a serious problem that can lead to serious environmental pollution and waste of resources if not handled properly. Waste materials are often high in proteins, which are easily extracted and hydrolyzed to provide an adequate quantity of amino acids. This indicates that biowastes can be used as green and efficient corrosion inhibitors (CIs). This work aimed to prepare fish waste extract (FWE) by acid hydrolysis with alkaline leaching using fish waste as the raw material. The results of the characterization analysis identified the presence of 17 amino acids, with Leucine, Phenylalanine, Methionine, and Alanine being the most abundant. FWE was then tested as a corrosion inhibitor (CI) for carbon steel in 0.5 mol/L H2SO4. Further, the effect of KI on the corrosion inhibition performance of FWE for carbon steel in 0.5 mol/L H2SO4 was systematically investigated by the weight loss method, electrochemical method, and surface analysis. The maximum corrosion inhibition efficiencies were 88.7 % and 63.9 % for the FWE and KI alone, and 97.10 % for the combination of FWE and KI. The synergistic coefficient study confirmed that the synergistic coefficients of the FWE and KI exceeded 1 across all concentration conditions, indicating a synergistic effect between them. The surface analysis results showed that the deterioration of carbon steel after adding the compounded CI was mild, and pitting and crevice corrosion was not observed. Theoretical calculations revealed the active reaction sites of four major amino acid molecules via quantum chemical and molecular dynamics simulations. The effect of different types of side chains and heteroatoms of amino acid molecules on their corrosion inhibition performance was elucidated to provide theoretical guidance for designing biowaste CIs.

3D-printed copolymer semi-cavity sensor with inner optical filter-effecting quantum dots photoluminescence for multiple drugs and amino acids detection

Here, we demonstrate a prototype for a novel optical sensor based on 3D-printed copolymer semi-cavity embedded with colloidal ZnCuInS (ZCIS) quantum dots (QDs) and utilizing the optical filter-effect in the QDs photoluminescence excitation pathway by analytes in the solution. First, in situ copolymerization of styrene and n-butyl methacrylate (P(S-BMA)) with colloidal ZCIS QDs allowed formation of solid P(S-BMA) matrix homogeneously impregnated with QDs. Then QDs@P(S-BMA) mixed with polylactic acid (PLA) has been processed into QDs@P(S-BMA)@PLA hybrid filaments using extruder. Then, a semi-cavity optical cell was 3D-printed out of QDs@P(S-BMA)@PLA filaments. Such 3D-printed semi-cavity cell can be used as the optical sensor on various molecules utilizing the optical absorption by analyte molecules through inner filter effect (IFE) of a properly selected QDs excitation beam. The multiple drug and amino acid molecules have been utilized having selective UV absorption to examine our proof of concept.

A statistical physics-based physicochemical study of L-phenylalanine adsorption on activated carbon.

In this comparative study of the adsorption of L-phenylalanine (L-Phe) on two modified low-activated carbons (ACK and ACZ) at four temperatures (293-313K), steric and energetic characteristics of adsorption were investigated. An advanced statistical physics multilayer model involving single-layer and double-layer adsorption scenarios was developed to interpret the L-Phe adsorption phenomenon. Modeling results indicate that two and three L-Phe layers were arranged depending on the tested adsorption systems. The estimated number of L-Phe molecules per leading adsorption site varied from 1.71 to 2.09 and from 1.76 to 1.86 for systems L-Phe-ACK and L-Phe-ACZ, respectively. The results show that a multimolecular adsorption mechanism might connect this amino acid molecule on ACZ and ACK surfaces in a non-parallel location. These parameters changed as follows, according to the adsorbed quantity at saturation analysis: Qasat (L-Phe-ACK) ˃ Qasat (L-Phe-ACZ). This indicates that ACK material was more efficient and valuable for L-Phe adsorption than ACZ. It was also shown that the adsorption capacity decreases as the temperature increases, proving the exothermicity of the adsorption process. This analytical substantiation is confirmed by calculating the binding energies, suggesting the occurrence of physical bonds between L-Phe amino acid molecules and ACK/ACZ binding sites and among L-Phe-L-Phe molecules. Pore size distribution was interpreted and calculated by applying the Kelvin theory to data from single adsorption isotherms. All used temperatures depicted a distribution of pores below 2nm. The docking analysis involving L-Phe and the ACZ and ACK adsorbents reveal a significant resemblance in how receptors detect ligands. Consequently, the findings from the docking process confirm that the calculated binding affinities fall within the spectrum of adsorption energy. This study analyzed the adsorption capacity of the L-Phe through a model proposed by statistical physics formalism. Molecular docking was used to determine the various types of interactions between the two activated carbons. Two aspects, including orientation of L-Phe on the site, number of molecules per site n, interaction energy, density of receptor site, and adsorption capacity, were discussed to elucidate the influence of activation on the two adsorbents.

Tailoring MnO2 Cathode Interface via Organic–Inorganic Hybridization Engineering for Ultra‐Stable Aqueous Zinc‐Ion Batteries

AbstractManganese (Mn)‐based aqueous zinc ion batteries show great promise for large‐scale energy storage due to their high capacity, environmental friendliness, and low cost. However, they suffer from the severe capacity decay associated with the dissolution of Mn from the cathode/electrolyte interface. In this study, theoretical modeling inspires that the amino acid molecule, isoleucine (Ile), can be an ideal surface coating material for α‐MnO2 to stabilize the surface Mn lattice and mitigate Mn dissolution, thereby enhancing cycling stability. Furthermore, the coated Ile molecular layers can accumulate Zn2+ ions from the electrolyte and promote those ions’ transport to the α‐MnO2 cathode while prohibiting H2O from accessing the α‐MnO2 surface, reducing the surface erosion. The compact organic–inorganic interface is experimentally synthesized for α‐MnO2 utilizing Ile that shows homogeneous distribution on the well‐defined Ile‐α‐MnO2 nanorod electrodes. The fabricated aqueous zinc‐ion battery exhibits a high specific capacity (332.8 mAh g−1 at 0.1 A g−1) and excellent cycling stability (85% after 2000 cycles at 1 A g−1) as well as good inhibition toward Mn2+ dissolution, surpassing most reported cathode materials. This organic–inorganic hybrid interface design provides a new, simple avenue for developing high‐performance and low‐cost Mn‐based aqueous zinc ion batteries (AZIBs).

Dissolved oxygen fluctuation alters dissolved organic carbon stability and can accumulate resistant fraction

Recurrent dissolved oxygen (DO) depletion is common in many estuaries and coastal areas worldwide. However, its impact on the accumulation of resistant dissolved organic carbon (DOC) remains controversial. To address how recurrent DO depletion affects the degradation and stability of marine DOC, a series of DOC degradation incubations in a particulate-dissolved coexisting system in April 2021 were conducted, followed by a field investigation in the East China Sea (ECS) in October. In the ECS, we found that DO ranged from 4.71 to 7.40 mg/L in the near-bottom waters, while the degradation index (DI), an indicator of amino acids molecules, increased from −0.78–2.84, suggesting an accumulation of labile DOC over DO depletion. This is further supported by the bacteria community composition that showed an increase in anaerobic metabolism families when DO <6.29 mg/L. Laboratory incubation revealed strong labile DOC release (∼ 243 ± 38 μmol/L) from particulate organic carbon (POC) over oxygen depletion, followed by significant DOC loss in either anoxic-oxic or oxic-oxic groups. The degraded original DOC was slightly less in the oxygen depletion-treated group compared to the oxic group, and the resistant proportion was estimated as 1% ∼ 8% after 1–14 days of anoxic treatments. The resistant DOC accumulation after DO alleviation for 30 days was much less in amount when compared to the big release of labile DOC over DO depletion (48 vs. 243 μmol/L) and we believed that the lack of observed resistant DOC accumulation in the field observation was due to the overlap of multiple anoxic-oxic cycling processes and the masking effect of newly labile DOC released from the POC.

Enhanced photocatalytic CO2 conversion into reusable fuels with efficient solid-state proton donors

Lead halide perovskites driven photocatalytic CO2 reduction reaction (CO2RR) is restricted by H2O proton source due to the poor water-resistance of perovskites and difficult dissociation of H2O molecules. In this paper, a novel solid-state proton donor of amino acid modified melamine foam (Ami-MF) is developed, which could improve CO2RR of CsPbBr3/Bi2WO6 S-scheme heterojunction. On the one hand, amino acid molecules possess abundant –COOH and –NH2 groups, which are broken easily by catalyst oxidation compared with H2O, supplying sufficient protons for CO2RR. Product yield of Glu-MF/CsPbBr3/Bi2WO6 reaches 112.81 μmol/g/h, which is 3.8 times higher than that (29.83 μmol/g/h) of H2O-MF/CsPbBr3/Bi2WO6. Moreover, glutamic acid (Glu), cysteine (Cys), arginine (Arg) as typical acidic, neutral and basic amino acids are selected to explore proton supply from different amino acids. Glu-MF/CsPbBr3/Bi2WO6 exhibits the best CO2RR than other two Ami-MF, ascribing to the dicarboxylic structure of Glu. On the other hand, MF is an integral part in solid-state proton donor. Product yield of Glu-MF/CsPbBr3/Bi2WO6 is about 46.2 times higher than that (2.44 μmol/g/h) of powdery Glu/CsPbBr3/Bi2WO6, which ascribes to the efficient gas–solid CO2RR system induced by the three-dimensionality and porosity of MF. This study develops an efficient solid proton donor to enhance perovskites driven CO2RR.

Molecular self-assembled helix peptide nanotubes based on some amino acid molecules and their dipeptides: molecular modeling studies.

The paper considers the features of the structure and dipole moments of several amino acids and their dipeptides which play an important role in the formation of the peptide nanotubes based on them. The influence of the features of their chirality (left L and right D) and the alpha-helix conformations of amino acids are taken into account. In particular, amino acids with aromatic rings, such as phenylalanine (Phe/F), and branched-chain amino acids (BCAAs)-leucine (Leu/L) and isoleucine (Ile/I)-as well as corresponding dipeptides (diphenylalanine (FF), dileucine (LL), and diisoleucine (II)) are considered. The main features and properties of these dipeptide structures and peptide nanotubes (PNTs), based on them, are investigated using computational molecular modeling and quantum-chemical semi-empirical calculations. Their polar, piezoelectric, and photoelectronic properties and features are studied in detail. The results of calculations of dipole moments and polarization, as well as piezoelectric coefficients and band gap width, for different types of helical peptide nanotubes are presented. The calculated values of the chirality indices of various nanotubes are given, depending on the chirality of the initial dipeptides-the results obtained are consistent with the law of changes in the type of chirality as the hierarchy of molecular structures becomes more complex. The influence of water molecules in the internal cavity of nanotubes on their physical properties is estimated. A comparison of the results of these calculations by various computational methods with the available experimental data is presented and discussed. The main tool for molecular modeling of all studied nanostructures in this work was the HyperChem 8.01 software package. The main approach used here is the Hartree-Fock (HF) self-consistent field (SCF) with various quantum-chemical semi-empirical methods (AM1, PM3, RM1) in the restricted Hartree-Fock (RHF) and in the unrestricted Hartree-Fock (UHF) approximations. Optimization of molecular systems and the search for their optimal geometry is carried out in this work using the Polak-Ribeire algorithm (conjugate gradient method), which determines the optimized geometry at the point of their minimum total energy. For such optimized structures, dipole moments D and electronic energy levels (such as EHOMO and ELUMO), as well as the band gap Eg = ELUMO - EHOMO, were then calculated. For each optimized molecular structure, the volume was calculated using the QSAR program implemented also in the HyperChem software package.

Association between Childhood Overweight and Altered Concentrations of Circulating Amino Acids.

(1) Background: Dysregulated serum amino acids (AA) are known to be associated with obesity and risk of Type 2 Diabetes (T2D) in adults, and recent studies support the same notion in the pubertal age. It is, however, unknown whether childhood overweight may already display alterations of circulating AA. (2) Methods: We used liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS)-targeted metabolomics to determine plasma concentrations of AA and AA-related molecules in 36 children aged 7-12 years with normal weight or overweight. Clinical and anthropometric parameters were measured. (3) Results: Overweight in children is associated with an altered AA profile, with increased branched-chain amino acids (BCAA) and decreased glycine levels, with no clinically manifested metabolic conditions. Moreover, z-BMI was positively and negatively correlated with BCAA and glycine levels, respectively, even after adjustment for age and gender. We also found a correlation between the AA profile and clinical parameters such as lipids profile and glycemia. (4) Conclusions: A pattern of low glycine, and increased BCAA is correlated to z-BMI, total cholesterol, and triglycerides in overweight but otherwise healthy children. Our data suggest that, in childhood overweight, AA disturbances may precede other clinical parameters, thus providing an early indicator for the later development of metabolic disease.

Comparative physicochemical investigation of the inclusion compounds of cyclodextrins with arginine and histidine stereoisomers

The inclusion complexes of α-, β-cyclodextrin and 2-hydroxypropyl-α-cyclodextrin with two amino acid stereoisomers (L-, D-arginine and L-, D-histidine) were studied by using differential scanning calorimetry, thermogravimetry, Fourier transform infrared spectroscopy, and scanning electron microscopy methods. The solid inclusion compounds were prepared in a 1:1 molar ratio of the host and guest using the co-precipitation method. The pH measurements and structural visualization of complexes were carried out. The obtained results proved the formation of the complexes and revealed that the size and the symmetry of the cyclodextrin (CD) and also the structure and flexibility of the amino acid molecule had a significant influence on the complexation interaction. The correlation of the experimental data shows that βCD has a preference to form more stable complexes with levogir isomers of amino acid than αCD and 2-hydroxypropyl-α-cyclodextrin. The complexation of the amino acids isomers was accomplished by partial inclusion of the guest molecule in the CD cavity, and it was observed that CDs could better discriminate between histidine isomers than between arginine isomers.

Novel Co(II), Cu(II) and Fe(II) Pentadentate Schiff base complexes: Synthesis, characterization, antimicrobial, antioxidant, and molecular docking studies

The compound H2L, which is a ligand with five coordinating atoms, consisting of three nitrogen atoms and two sulfur atoms (N3S2), was reacted with Fe(OAc)2, Cu(OAc)2.H2O, and Co(OAc)2·4H2O to form the corresponding metal complexes ([FeL], [CuL], [CoL]). Many techniques, including NMR (for ligand), FT-IR, UV–Vis, elemental analysis, and molar conductivity, were used to characterize the synthesized compounds. According to the spectrum of data, complex molecule structures have a distorted triangular bipyramidal geometry with five coordination locations. The compounds that exhibit non-electrolyte behavior in solution do not possess any conductivity features. Evaluation was performed to determine the antioxidant activity of the synthesized compounds in comparison to the stable free radical DPPH. The ligand and its metal complexes were evaluated for antibacterial activity against several Gram-positive and Gram-negative bacteria, as well as a yeast strain. In comparison to the common antibiotic Amoxycillin/Clavulanic Acid (AMC-30), the Schiff base ligand (H2L) and its Cu(II) metal complex showed noticeably larger inhibitory zones against S. aureus. All the compounds showed a high negative binding affinity for S. aureus amino acid molecules when they were docked. The results indicated that the metal complexes, particularly the cobalt complex, exhibited a higher affinity for binding compared to the free ligand.

Thermodynamic analysis for the dissolution of two similar amino acids in sodium sulfate aqueous solution

In the current work, the analyti cal static gravimetric technique was used to assess the solubilities of DL-α-amino butyric acid and DL-valine in an aqueous binary solvent mixture of sodium sulfate (Na2SO4) under equilibrium saturation conditions in between temperature range 288.15 and 308.15 K. Different thermodynamic factors along with transfer Gibbs energetics and entropies under standard conditions were estimated by using computational as well as theoretical method by using the experimental solubilities. Several modes of interactions that occur during solvation were also explained. The manner that solvent molecules of solute amino acids are surrounded in the aforementioned medium employed during the process is taken into consideration. Amino acids become more soluble as the temperature rises. The study also helps us to reach the conclusion that physical properties of electrolyte (Na2SO4), mixed solvent, and the size of the amino acids’ molecules are the main governing factors for the chemical stability as well as other thermodynamic and physical property like solubility of solute amino acids.

Interlayer manipulation of bio-inspired Ti3C2Tx nanocontainer through intercalation of amino acid molecules to dramatically boosting uranyl hijacking capability from seawater

More than 4.5 billion tons of unconventional uranium resources [UO2(CO3)3]4- are uniformly dissolved in seawater, providing a sustainable and abundant fuel source for the development of nuclear energy. Herein, we presented a rational design and development of Ti3C2Tx nanocontainer inspired by the exceptional selectivity and affinity exhibited by superb-uranyl proteins through amino acid intercalation. The amino acid intercalation of Ti3C2Tx demonstrated exceptional UO22+ capture capacity (Arg-Ti3C2Tx, His-Ti3C2Tx, and Lys-Ti3C2Tx with qmax values of 594.46, 846.04, and 1030.17 mg/g). Furthermore, these intercalated materials exhibited remarkable sequestration efficiency and selectivity (Uinitial = ∼45.2 ∼7636 μg/L; ∼84.45% ∼98.08%; and ∼2.72 ×104 ∼1.28 ×105 KdU value), despite the presence of an overwhelming surplus of Na+, Ca2+, Mg2+, and Co2+ ions. Significantly, even in the 0.3 M NaHCO3 solution and surpassing 103-fold of the Na3VO4 system, the adsorption efficiency of Lys-Ti3C2Tx still achieved a remarkable 63.73% and 65.05%. Moreover, the Lys-Ti3C2Tx can extract ∼30.23 ∼8664.03 μg/g uranium after 24 h contact in ∼13.3 ∼5000 μg/L concentration from uranium-spiked natural seawater. The mechanism analysis revealed that the high binding capability can be attributed to the chelation of carboxyl and amino groups with uranyl ions. This innovative state-of-the-art approach in regulating uranium harvesting capability through intercalation of amino acid molecules provides novel insights for extracting uranium from seawater.

Dapsone With Amino Acids And Docking With Multiple Proteins As a Covid-19 Treatment: A Theoretical Study

Every day, a large number of individuals die as a result of the devastating disease COVID-19. Based on molecular docking simulations, the dapsone molecule has been presented as a possible antiviral for the treatment of COVID-19 illnesses in this study. Additionally, investigate the interaction of dapsone with mono and di amino acid molecules. Hartree Fock at the (STO-3G) technique was used to explore molecule geometries, electronic characteristics, and mo-lecular electrostatic potential. Docking calculations were performed to assess dapsone's pharmacological actions against coronavirus infections.

Effect of amino acid complexing agents on chemical mechanical polishing performance and action mechanism of C-plane sapphire: Combining experiments and theoretical calculations

Chemical mechanical polishing (CMP) of sapphire faces greater challenges as the performance and processing requirements of sapphire devices continue to improve. Amino acids are often used as complexing agents on CMP because of their high water solubility, environmental friendliness and strong complexing ability. In this study, a combination of experimental techniques and theoretical calculations were used to investigate the effects of glycine (Gly), serine (Ser) and lysine (Lys) as complexing agents on the CMP properties of C-plane sapphire. The existence forms of three amino acid molecules under alkaline conditions were analyzed, and their possible binding modes to sapphire were discovered. Experimentally, it can be found that all three amino acids can improve the performance of C-plane sapphire CMP in different degrees. The measure results of X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) show that the three amino acids can be complexed with the Al(OH)4‒ ions produced by the sapphire to form soluble substance, thus speeding up the removal of sapphire. By calculation, it can be shown that the process of complexation is that the –NH2 and –OH groups in amino acids form covalent bonds with Al atom in Al(OH)4‒. Finally, the complexation capacity of the three amino acids is in the following order: Gly < Ser < Lys. Therefore, this study can confirm that amino acids as complexing agent have a good complexing effect on sapphire CMP, and the addition of –NH2 and –OH groups can help to enhance the complexing ability of the complexing agent, which has a certain good guiding significant for the selection of sapphire CMP complexing agent.

Construction of MnO2@ZIF-8 core-shell nanocomposites for efficient removal of Sr2+ from aqueous solution

Novel MnO2@ZIF-8 nanocomposites were synthesized for efficient adsorptive removal of Sr2+ from aqueous solution. ZIF-8 nanoparticles with controlled morphology and size were first synthesized by using amino acids to modulate the crystal nucleation and growth. Then, a layer of MnO2 nanoparticles were deposited on ZIF-8 surface by using the adsorbed amino acid molecules as binding sites to mediate MnO2 mineralization and by adjusting the reactive KMnO4 concentration to control the size and surface density of the MnO2 nanoparticles. The as-prepared MnO2@ZIF-8 nanocomposites showed a core-shell structure and displayed superior performance in Sr2+ adsorption and removal from aqueous solution. The adsorption process can be described well by the pseudo-second-order equation. The adsorption isotherm accords well with the Langmuir model and the maximum adsorption capacity can reach 65.7 mg/g. The study paves a new way to develop novel inorganic nanocomposites as highly efficient and potential adsorbents for the treatment of radionuclide-containing wastewater.

Fast pyrolysis of Enteromorpha prolifera model compounds for syngas: A simulated and experimental study

The large-scale blooming of Enteromorpha prolifera (EP) results in "green tide," triggering significant environmental issues. However, EP as algal biomass can be converted to syngas through fast pyrolysis. This research investigates the fast pyrolysis of modeled compounds of EP for syngas production. Rhamnose (Rha), glucuronic acid (GlcA), aspartic acid (Asp), glutamic acid (Glu), and alanine (Ala) are used as the model compounds. This study employs experiments and simulations on fast pyrolysis processes. The results reveal that polysaccharide sulfate (PS) undergoes various reactions, including glycosidic bond cleavage, pyran ring opening, dehydration, and C-C bond cleavage. Simultaneously, amino acids experience dehydration, deamination, decarboxylation, and decarboxylation reactions. Fast co-pyrolysis of modeled compounds of EP, the monosaccharides and uronic acid molecules produced by PS pyrolysis also attack each other with amino acid molecules to produce other substances. The pyrolysis gas obtained from the model compounds of PS exhibits the highest CO content. Notably, amino acids possess a superior capability to produce H2 compared with PS. With the fast co-pyrolysis of EP model compounds, the CO2 content increases while the CO content decreases. This study provides a theoretical basis for the fast pyrolysis of EP to produce syngas.

Thermodynamics Properties of Amino Acid with Water Mixture using Time Domain Reflectometry Technique

In this paper we have reported the thermodynamics properties of the amino acids (L-alanine) in water solution were carried out using time domain reflectometry at 250C to -50C in the frequency range between 10 MHz to 30 GHz. The dielectric parameters i.e. static dielectric constant and relaxation time, were obtained from the complex permittivity spectra using a nonlinear least square fit method. From the values of the relaxation time, the thermodynamic parameters are determined. The dielectric relaxation parameters increase with an increase in concentration (mM) of amino acid due to the structure of hydrogen bond groups by the amino acid molecules in the aqueous solution. The relaxation peak shifted to lower frequency with an increase in molar concentration of amino acid.

Does arginine aggregate formation in aqueous solutions follow a two-step mechanism?

The formation of aggregates was studied in arginine aqueous solutions using light scattering. The main driving force for aggregate formation is hydrogen bonding between the arginine (Arg) amino acids, which is partially verified using density functional theory calculations. The measurement of energy loss during this process, coupled with Cryo-EM morphology data, indicates that these aggregates are in the solid state. The aggregation occurs in two steps, with a liquid intermediate stage. The investigation of the effect of pH and solute concentration on aggregate formation for other amino acid aqueous solutions verifies that aggregate formation is amino-acid specific, while small-sized clusters formed by weak interactions lead to large-sized aggregation. The water structure around amino acid molecules sheds light on the prediction of their aggregate formation. Homochirality is observed in the aggregates; its existence sheds light on the origin of protein homochirality.

Prototypes of devices for heterogeneous hybrid semiconductor electronics with an embedded biomolecular domain

A macromolecular system embedded in a semiconductor microelectronic device is considered as a biomolecular nano- or micro-sized domain that performs the functions of converting acoustic and electromagnetic signals. The issues of the choice of substances, the dynamic and structural-functional state of the domain, as well as the physical foundations of its interaction with matrix elements are discussed. The process of excitation of forced vibrations in amino acid molecules (for example, glycine, tryptophan, diphenyl-L-alanine) under the influence of short (10–100 ps) packets of electrical signals in the IR range with a frequency in the range of 1–125 THz was studied by the method of supercomputer nonequilibrium modeling of molecular dynamics. The acoustoelectric interpretation of oscillation generation was carried out using a unified equivalent circuit of the peptide group. Examples of developed prototypes of heterogeneous devices are given. It is concluded that embedded biomolecular domains, presented as a multifunctional element base, are promising for signal conversion in hybrid microelectronics.