MC-QTAIM analysis reveals an exotic bond in coherently quantum superposed malonaldehyde.

The proton between the two oxygen atoms of the malonaldehyde molecule experiences an effective double-well potential in which the proton's wavefunction is delocalized between the two wells. Herein we employ a state-of-the-art multi-component quantum theory of atoms in molecules partitioning scheme to obtain the molecular structure, i.e. atoms in molecules and bonding network, from the superposed ab initio wavefunctions of malonaldehyde. In contrast to the familiar clamped-proton portrayal of malonaldehyde, in which the proton forms a hydrogen basin, for the superposed states the hydrogen basin disappears and two novel hybrid oxygen-hydrogen basins appear instead, with an even distribution of the proton population between the two basins. The interaction between the hybrid basins is stabilizing thanks to an unprecedented mechanism. This involves the stabilizing classical Coulomb interaction of the one-proton density in one of the basins with one-electron density in the other basin. This stabilizing mechanism yields a bond foreign to the known bonding modes in chemistry.

On the nature of the two-positron bond: evidence for a novel bond type.

The nature of the newly proposed two-positron bond in (PsH)2, which is composed of two protons, four electrons and two positrons, is considered in this contribution. The study is done at the multi-component-Hartree-Fock (MC-HF) and the Diffusion Monte Carlo (DMC) levels of theory by comparing ab initio data, analyzing the spatial structure of the DMC wavefunction, and applying the multi-component quantum theory of atoms in molecules and the two-component interacting quantum atoms energy partitioning schemes to the MC-HF wavefunction. The analysis demonstrates that (PsH)2 to a good approximation may be conceived of as two slightly perturbed PsH atoms, bonded through a two-positron bond. In contrast to the usual two-electron bonds, the positron exchange phenomenon is quite marginal in the considered two-positron bond. The dominant stabilizing mechanism of bonding is a novel type of classical electrostatic interaction between the positrons, which are mainly localized between nuclei, and the surrounding electrons. To emphasize its uniqueness, this mechanism of bonding is proposed to be called gluonic which has also been previously identified as the main driving mechanism behind formation of the one-positron bond in [H-,e+,H-]. We conclude that the studied two-positron bond should not be classified as a covalent bond and it must be seen as a brand-new type of bond, foreign to the electronic bonding modes discovered so far in the purely electronic systems.

Two-component density functional theory for muonic molecules: Inclusion of the electron-positive muon correlation functional.

It is well-known experimentally that the positively charged muon and the muonium atom may bind to molecules and solids, and through muon's magnetic interaction with unpaired electrons, valuable information on the local environment surrounding the muon is deduced. Theoretical understanding of the structure and properties of resulting muonic species requires accurate and efficient quantum mechanical computational methodologies. In this paper, the two-component density functional theory (TC-DFT), as a first principles method, which treats electrons and the positive muon on an equal footing as quantum particles, is introduced and implemented computationally. The main ingredient of this theory, apart from the electronic exchange-correlation functional, is the electron-positive muon correlation functional that is foreign to the purely electronic DFT. A Wigner-type local electron-positive muon correlation functional, termed eµc-1, is proposed in this paper and its capability is demonstrated through its computational application to a benchmark set of muonic organic molecules. The TC-DFT equations containing eµc-1 are not only capable of predicting the muon's binding site correctly, but they also reproduce muon's zero-point vibrational energies and the muonic densities much more accurately than the TC-DFT equations lacking eµc-1. Thus, this study sets the stage for developing accurate electron-positive muon functionals, which can be used within the context of the TC-DFT to elucidate the intricate interaction of the positive muon with complex molecular systems.

Bacterial staphylokinase as a promising third-generation drug in the treatment for vascular occlusion.

Vascular occlusion is one of the major causes of mortality and morbidity. Blood vessel blockage can lead to thrombotic complications such as myocardial infarction, stroke, deep venous thrombosis, peripheral occlusive disease, and pulmonary embolism. Thrombolytic therapy currently aims to rectify this through the administration of recombinant tissue plasminogen activator. Research is underway to design an ideal thrombolytic drug with the lowest risk. Despite the potent clot lysis achievable using approved thrombolytic drugs such as alteplase, reteplase, streptokinase, tenecteplase, and some other fibrinolytic agents, there are some drawbacks, such as high production cost, systemic bleeding, intracranial hemorrhage, vessel re-occlusion by platelet-rich and retracted secondary clots, and non-fibrin specificity. In comparison, bacterial staphylokinase, is a new, small-size plasminogen activator, unlike bacterial streptokinase, it hinders the systemic degradation of fibrinogen and reduces the risk of severe hemorrhage. A fibrin-bound plasmin-staphylokinase complex shows high resistance to a2-antiplasmin-related inhibition. Staphylokinase has the potential to be considered as a promising thrombolytic agent with properties of cost-effective production and the least side effects.

Construction of a sensitive and specific lead biosensor using a genetically engineered bacterial system with a luciferase gene reporter controlled by pbr and cadA promoters.

BACKGROUND: A bacterial biosensor refers to genetically engineered bacteria that produce an assessable signal in the presence of a physical or chemical agent in the environment. METHODS: We have designed and evaluated a bacterial biosensor expressing a luciferase reporter gene controlled by pbr and cadA promoters in Cupriavidus metallidurans (previously termed Ralstonia metallidurans) containing the CH34 and pI258 plasmids of Staphylococcus aureus, respectively, and that can be used for the detection of heavy metals. In the present study, we have produced and evaluated biosensor plasmids designated pGL3-luc/pbr biosensor and pGL3-luc/cad biosensor, that were based on the expression of luc+ and under the control of the cad promoter and the cadC gene of S. aureus plasmid pI258 and pbr promoter and pbrR gene from plasmid pMOL30 of Cupriavidus metallidurans. RESULTS: We found that the pGL3-luc/pbr biosensor may be used to measure lead concentrations between 1-100 µM in the presence of other metals, including zinc, cadmium, tin and nickel. The latter metals did not result in any significant signal. The pGL3-luc/cad biosensor could detect lead concentrations between 10 nM to 10 µM. CONCLUSIONS: This biosensor was found to be specific for measuring lead ions in both environmental and biological samples.

On the Nature of the Positronic Bond.

Recently it has been proposed that the positron, the anti-particle analog of the electron, is capable of forming an anti-matter bond in a composite system consists of two hydride anions and a positron [Angew. Chem. Int. Ed. 57, 8859-8864 (2018)]. In order to dig into the nature of this novel bond the newly developed multi-component quantum theory of atoms in molecules (MC-QTAIM) is applied to this positronic system. The topological analysis reveals that this species is composed of two atoms in molecules, each containing a proton and half of the electronic and the positronic populations. Further analysis elucidates that the electron exchange phenomenon is virtually non-existent between the two atoms and no electronic covalent bond is conceivable in between. On the other hand, it is demonstrated that the positron density enclosed in each atom is capable of stabilizing interactions with the electron density of the neighboring atom. This electrostatic interaction suffices to make the whole system bonded against all dissociation channels. Thus, the positron indeed acts like an anti-matter glue between the two atoms.

Developing effective electronic-only coupled-cluster and Møller-Plesset perturbation theories for the muonic molecules.

Recently we have proposed an effective Hartree-Fock (EHF) theory for the electrons of the muonic molecules that is formally equivalent to the HF theory within the context of the nuclear-electronic orbital theory [Phys. Chem. Chem. Phys., 2018, 20, 4466]. In the present report we extend the muon-specific effective electronic structure theory beyond the EHF level by introducing the effective second order Møller-Plesset perturbation theory (EMP2) and the effective coupled-cluster theory at single and double excitation levels (ECCSD) as well as an improved version including perturbative triple excitations (ECCSD(T)). These theories incorporate electron-electron correlation into the effective paradigm and through their computational implementation, a diverse set of small muonic species is considered as a benchmark at these post-EHF levels. A comparative computational study on this set demonstrates that the muonic bond length is in general non-negligibly longer than corresponding hydrogenic analogs. Next, the developed post-EHF theories are applied for the muoniated N-heterocyclic carbene/silylene/germylene and the muoniated triazolium cation revealing the relative stability of the sticking sites of the muon in each species. The computational results, in line with previously reported experimental data demonstrate that the muon generally prefers to attach to the divalent atom with carbeneic nature. A detailed comparison of these muonic adducts with the corresponding hydrogenic adducts reveals subtle differences that have already been overlooked.

Effective electronic-only Kohn-Sham equations for the muonic molecules.

A set of effective electronic-only Kohn-Sham (EKS) equations are derived for the muonic molecules (containing a positively charged muon), which are completely equivalent to the coupled electronic-muonic Kohn-Sham equations derived previously within the framework of the nuclear-electronic orbital density functional theory (NEO-DFT). The EKS equations contain effective non-coulombic external potentials depending on parameters describing the muon's vibration, which are optimized during the solution of the EKS equations making the muon's KS orbital reproducible. It is demonstrated that the EKS equations are derivable from a certain class of effective electronic Hamiltonians through applying the usual Hohenberg-Kohn theorems revealing a "duality" between the NEO-DFT and the effective electronic-only DFT methodologies. The EKS equations are computationally applied to a small set of muoniated organic radicals and it is demonstrated that a mean effective potential may be derived for this class of muonic species while an electronic basis set is also designed for the muon. These computational ingredients are then applied to muoniated ferrocenyl radicals, which had been previously detected experimentally through adding a muonium atom to ferrocene. In line with previous computational studies, from the six possible species, the staggered conformer, where the muon is attached to the exo position of the cyclopentadienyl ring, is deduced to be the most stable ferrocenyl radical.

Toward a muon-specific electronic structure theory: effective electronic Hartree-Fock equations for muonic molecules.

An effective set of Hartree-Fock (HF) equations are derived for electrons of muonic systems, i.e., molecules containing a positively charged muon, conceiving the muon as a quantum oscillator, which are completely equivalent to the usual two-component HF equations used to derive stationary states of the muonic molecules. In these effective equations, a non-Coulombic potential is added to the orthodox coulomb and exchange potential energy terms, which describes the interaction of the muon and the electrons effectively and is optimized during the self-consistent field cycles. While in the two-component HF equations a muon is treated as a quantum particle, in the effective HF equations it is absorbed into the effective potential and practically transformed into an effective potential field experienced by electrons. The explicit form of the effective potential depends on the nature of muon's vibrations and is derivable from the basis set used to expand the muonic spatial orbital. The resulting effective Hartree-Fock equations are implemented computationally and used successfully, as a proof of concept, in a series of muonic molecules containing all atoms from the second and third rows of the Periodic Table. To solve the algebraic version of the equations muon-specific Gaussian basis sets are designed for both muon and surrounding electrons and it is demonstrated that the optimized exponents are quite distinct from those derived for the hydrogen isotopes. The developed effective HF theory is quite general and in principle can be used for any muonic system while it is the starting point for a general effective electronic structure theory that incorporates various types of quantum correlations into the muonic systems beyond the HF equations.

Identification of saprophytic and allergenic fungi in indoor and outdoor environments.

The airborne spores of some saprophytic and allergenic fungi such as Aspergillus, Alternaria, and Cladosporium are found throughout the world and exposure to these agents may result in various types of allergic diseases. The aim of this study, therefore, was to investigate the frequency of different saprophytic, allergenic, and pathogenic fungi in indoor and outdoor environments. During a 6-month period, 780 samples were obtained from a number of houses, mosques, parks, public restrooms, grocery stores, laboratories, and hospitals. An open-plate method was applied for air sampling by exposing 90-mm plates containing chloramphenicol/potato dextrose agar and malt extract agar were exposed to air for 30 min. Alternatively, the sampling from surfaces was performed using sterile wet swab and tape-stripe method. All samples were then inoculated in media and incubated at 28 °C for 2-3 weeks. The isolated fungi were purified in order to detect the genus, and if possible, species level of the targeted fungi based on morphological and microscopic features using standard methods. The findings revealed that the dominant indoor and outdoor fungal species were Aspergillus, Penicillium, and Cladosporium whose frequency values were 16.42%, 16.17%, and 14.92% respectively. The lowest frequency was related to Acrophialophora and Madurella (0.25%). More notably, the results for air and surface were similar. It was also found out that the three dominant genera were Aspergillus (16.53%), Penicillium (15.50%), and Cladosporium (11.93%), with Basidiobolus and Acrophialophora having the lowest frequency. It was observed that different environmental spaces have a great bearing on the spreading of such allergic agents, especially in subtropical humid climates.

Current Status and Perspectives Regarding LNA-Anti-miR Oligonucleotides and microRNA miR-21 Inhibitors as a Potential Therapeutic Option in Treatment of Colorectal Cancer.

Colorectal cancer (CRC) is among the leading causes of cancer-related death, principally due to its metastatic spread and multifactorial chemoresistance. The therapeutic failure can also be explained by inter- or intra-tumor genetic heterogeneity and tumor stromal content. Thus, the identification of novel prognostic biomarkers and therapeutic options are warranted in the management of CRC patients. There are data showing that microRNA-21 is elevated in different types of cancer, particularly colon adenocarcinoma and that this is association with a poor prognosis. This suggests that microRNA-21 may be of value as a potential therapeutic target. Furthermore, locked nucleic acid (LNA)-modified oligonucleotides have recently emerged as a therapeutic option for targeting dysregulated miRNAs in cancer therapy, through antisense-based gene silencing. Further work is required to identify innovative anticancer drugs that improve the current therapy either through novel combinatorial approaches or with better efficacy than conventional drugs. We aimed to provide an overview of the preclinical and clinical studies targeting key dysregulated signaling pathways in CRC as well as the therapeutic application of LNA-modified oligonucleotides, and miR inhibitors in the treatment of CRC patients. J. Cell. Biochem. 118: 4129-4140, 2017. © 2017 Wiley Periodicals, Inc.

Muon-Substituted Malonaldehyde: Transforming a Transition State into a Stable Structure by Isotope Substitution.

Isotope substitutions are usually conceived to play a marginal role on the structure and bonding pattern of molecules. However, a recent study [Angew. Chem. Int. Ed. 2014, 53, 13706-13709; Angew. Chem. 2014, 126, 13925-13929] further demonstrates that upon replacing a proton with a positively charged muon, as the lightest radioisotope of hydrogen, radical changes in the nature of the structure and bonding of certain species may take place. The present report is a primary attempt to introduce another example of structural transformation on the basis of the malonaldehyde system. Accordingly, upon replacing the proton between the two oxygen atoms of malonaldehyde with the positively charged muon a serious structural transformation is observed. By using the ab initio nuclear-electronic orbital non-Born-Oppenheimer procedure, the nuclear configuration of the muon-substituted species is derived. The resulting nuclear configuration is much more similar to the transition state of the proton transfer in malonaldehyde rather than to the stable configuration of malonaldehyde. The comparison of the "atoms in molecules" (AIM) structure of the muon-substituted malonaldehyde and the AIM structure of the stable and the transition-state configurations of malonaldehyde also unequivocally demonstrates substantial similarities of the muon-substituted malonaldehyde to the transition state.

Extending the Domain-Averaged Exchange-Correlation Energies Within the Context of the MC-QTAIM: Tracing Subtle Variations Induced by Isotope Substitution.

Recently, it has been demonstrated that the domain-averaged exchange-correlation energies, Vxc , are capable of tracing the covalent character of atom-atom interactions unequivocally and thus pave the way for detailed bonding analysis within the context of the quantum theory of atoms in molecules (QTAIM) [M. García-Revilla, E. Francisco, P. L. Popelier, A. Martín Pendás, ChemPhysChem 2013, 14, 1211-1218]. Herein, the concept of Vxc is extended within the context of the newly developed multicomponent QTAIM (MC-QTAIM). The extended version, Veexc , is capable of analyzing nonadiabatic wavefunctions and thus is sensitive to the mass of nuclei and can trace "locally" the subtle electronic variations induced by isotope substitution. To demonstrate this capability in practice, ab initio nonadiabatic wavefunctions for three isotopically substituted hydrogen cyanide molecules, in which the hydrogen nucleus was assumed to be a proton, deuterium, or tritium, were derived. The resulting wavefunctions were then used to compute Veexc and it emerged that for the hydrogen-carbon bond, the Veexc was distinct for each isotopic composition and varied in line with chemical expectations. Indeed, the introduction of Veexc paves the way for the investigation of vast numbers of structural and kinetic isotope effects within the context of the MC-QTAIM.

Hidden aspects of the Structural theory of chemistry: MC-QTAIM analysis reveals "alchemical" transformation from a triatomic to a diatomic structure.

The Structural theory of chemistry introduces chemical/molecular structure as a combination of relative arrangement and bonding patterns of atoms in a molecule. Nowadays, the structure of atoms in molecules is derived from the topological analysis of the quantum theory of atoms in molecules (QTAIM). In this context, a molecular structure is varied by large geometrical variations and concomitant reorganization of electronic structure that usually take place in chemical reactions or under extreme hydrostatic pressure. In this report, a new mode of structural variation is introduced within the context of the newly proposed multi-component QTAIM (MC-QTAIM) that originates from the mass variation of nuclei. Accordingly, XCN and CNX series of species are introduced where X stands for a quantum particle with a unit of positive charge and a variable mass that is varied in discrete steps between the mass of a proton and a positron. Ab initio non-Born-Oppenheimer (non-BO) calculations are done on both series of species and the resulting non-BO wavefunctions are used for the MC-QTAIM analysis, revealing a triatomic structure for the proton mass and a diatomic structure for the positron mass. In both series of species, a critical mass between that of proton and positron mass is discovered where the transition from triatomic to diatomic structure takes place. This abrupt structural transformation has a topological nature resembling the usual phase transitions in thermodynamics. The discovered mass-induced structural transformation is a hidden aspect of the Structural theory which is revealed only beyond the BO paradigm, when nuclei are treated as quantum waves instead of clamped point charges.

Where to place the positive muon in the Periodic Table?

In a recent study it was suggested that the positively charged muon is capable of forming its own "atoms in molecules" (AIM) in the muonic hydrogen-like molecules, composed of two electrons, a muon and one of the hydrogen's isotopes, thus deserves to be placed in the Periodic Table [Phys. Chem. Chem. Phys., 2014, 16, 6602]. In the present report, the capacity of the positively charged muon in forming its own AIM is considered in a large set of molecules replacing muons with all protons in the hydrides of the second and third rows of the Periodic Table. Accordingly, in a comparative study the wavefunctions of both sets of hydrides and their muonic congeners are first derived beyond the Born-Oppenheimer (BO) paradigm, assuming protons and muons as quantum waves instead of clamped particles. Then, the non-BO wavefunctions are used to derive the AIM structures of both hydrides and muonic congeners within the context of the multi-component quantum theory of atoms in molecules. The results of the analysis demonstrate that muons are generally capable of forming their own atomic basins and the properties of these basins are not fundamentally different from those AIM containing protons. Particularly, the bonding modes in the muonic species seem to be qualitatively similar to their congener hydrides and no new bonding model is required to describe the bonding of muons to a diverse set of neighboring atoms. All in all, the positively charged muon is similar to a proton from the structural and bonding viewpoint and deserves to be placed in the same box of hydrogen in the Periodic Table. This conclusion is in line with a large body of studies on the chemical kinetics of the muonic molecules portraying the positively charged muon as a lighter isotope of hydrogen.

Deciphering the "chemical" nature of the exotic isotopes of hydrogen by the MC-QTAIM analysis: the positively charged muon and the muonic helium as new members of the periodic table.

This report is a primarily survey on the chemical nature of some exotic species containing the positively charged muon and the muonic helium, i.e., the negatively charged muon plus helium nucleus, as exotic isotopes of hydrogen, using the newly developed multi-component quantum theory of atoms in molecules (MC-QTAIM) analysis, employing ab initio non-Born-Oppenhiemer wavefunctions. Accordingly, the "atoms in molecules" analysis performed on various asymmetric exotic isotopomers of the hydrogen molecule, recently detected experimentally [Science, 2011, 331, 448], demonstrates that both the exotic isotopes are capable of forming atoms in molecules and retaining the identity of hydrogen atoms. Various derived properties of atomic basins containing the muonic helium cast no doubt that apart from its short life time, it is a heavier isotope of hydrogen while the properties of basins containing the positively charged muon are more remote from those of the orthodox hydrogen basins, capable of appreciable donation of electrons as well as large charge polarization. However, with some tolerance, they may also be categorized as hydrogen basins though with a smaller electronegativity. All in all, the present study also clearly demonstrates that the MC-QTAIM analysis is an efficient approach to decipher the chemical nature of species containing exotic constituents, which are difficult to elucidate by experimental and/or alternative theoretical schemes.

Optimization of Bioactive Compound Extraction from Saffron Petals Using Ultrasound-Assisted Acidified Ethanol Solvent: Adding Value to Food Waste.

The saffron industry produces large by-products, including petals with potential bioactive compounds, which are cheap and abundant, making them an attractive alternative to expensive stigmas for extracting bioactive components. This study aimed to optimize the extraction conditions of bioactive compounds from vacuum-dried saffron petals using an ultrasound-assisted acidified ethanol solvent. Three factors were considered: ethanol concentration (0-96%), citric acid concentration in the final solvent (0-1%), and ultrasound power (0-400 watt). This study examined the effects of these factors on parameters like maximum antioxidant activity, total anthocyanin content, total phenolic content, and the total flavonoid content of the extraction. This study found that saffron petal extract's antioxidant activity increases with higher ethanol concentration, citric acid dose, and ultrasound power, but that an increased water content leads to non-antioxidant compounds. Increasing the dosage of citric acid improved the extraction of cyanidin-3-glucoside at different ultrasound power levels. The highest extraction was achieved with 400 watts of ultrasound power and 1% citric acid. Ethanol concentration did not affect anthocyanin extraction. Higher ethanol concentration and greater citric acid concentration doses resulted in the maximum extraction of total phenolic content, with a noticeable drop in extraction at higher purity levels. This study found that increasing the proportion of citric acid in the final solvent did not affect flavonoid extraction at high ethanol concentration levels, and the highest efficiency was observed at 200 watts of ultrasound power. The optimum values of the independent parameters for extracting bioactive compounds from saffron petals included 96% ethanol concentration, 0.67% citric acid concentration, and 216 watts of ultrasound power, resulting in a desirability value of 0.82. This ultrasound-assisted acidified ethanolic extract can be used in the food industry as a natural antioxidant and pigment source.

Medicinal Chemistry of Antisense Oligonucleotides for Therapeutic Use in SARS-CoV-2: Design Strategies and Challenges for Targeted Delivery.

BACKGROUND: The evolution of novel Severe Acute Respiratory Syndrome-related Coronavirus 2 (SARS-CoV-2) strains with greater degrees of infectivity, resistance to vaccine-induced acquired immunity, and more severe morbidity have contributed to the recent spread of COVID-19. In light of this, novel therapeutic alternatives with improved effectiveness and fewer side effects have become a necessity. Despite many new or repurposed antiviral agents recommended for Coronavirus disease (COVID-19) therapy, this objective remains unfulfilled. Under these circumstances, the scientific community holds the significant responsibility to develop classes of novel therapeutic modalities to combat SARS-CoV-2 with the least harmful side effects. OBJECTIVE: Antisense Oligonucleotides (ASOs) are short single-stranded oligonucleotides that allow the specific targeting of RNA, leading to its degradation. They may also prevent cellular factors or machinery from binding to the target RNA. It is possible to improve the pharmacokinetics and pharmacodynamics of ASOs by chemical modification or bioconjugation, which may provide conditions for customization of a particular clinical target. This study aimed to outline the potential use of ASOs in the treatment of COVID-19 disease, along with the use of antisense stabilization and transfer methods, as well as future challenges and limitations. METHODS: We have reviewed the structure and properties of ASOs containing nucleobase, sugar, or backbone modifications, and provided an overview of the therapeutic potential, delivery challenges, and strategies of ASOs in the treatment of COVID-19. RESULTS: The first-line therapy for COVID-19-infected individuals, as well as the development of oligonucleotide-based drugs, warrants further investigation. Chemical changes in the oligonucleotide structure can affect the biological processes. These chemical alterations may lead to enhanced potency, while changing the pharmacokinetics and pharmacodynamics. CONCLUSION: ASOs can be designed to target both coding and non-coding regions of the viral genome to disrupt or completely degrade the genomic RNA and thereby eliminate SARS-CoV-2. They may be very effective in areas, where vaccine distribution is challenging, and they may be helpful for future coronavirus pandemics.

The effect of periodate oxidation of basil seed gum and its addition on protein binding.

This study attempted to determine the best point of basil seed oxidation by applying response surface methodology (RSM) with 3 factors of temperature (35-45 °C), pH (3-7) as well as time (3-7 h), at 3 levels. The produced dialdehyde basil seed gum (DBSG) was collected and its physicochemical properties were determined. Fitting of quadratic, linear polynomial equations was subsequently done by considering the insignificant lack of fit, as well as highly considerable R2, in order to probe the probable relationship existing between these considered variables as well as the obtained responses. So the considered optimal related test conditions, which included pH = 3, T = 45 °C as well as Time = 3 h, were specified to produce the highest percentage of aldehyde (DBSG32), optimal (DBSG34) and the (DBSG74) samples with the highest viscosity. The results obtained by FTIR and aldehyde content determination provided the indication that dialdehyde groups were formed in a way that was in equilibrium with the considered the hemiacetal form which was dominant. Furthermore, AFM investigation related to the considered DBSG34 sample displayed over-oxidation as well as depolymerization; this might be due to the enhanced hydrophobic qualities, as well as the decreased viscosity. While the DBSG34 sample had the most dialdehyde factor group with a particular tendency for the combination having the proteins' amino group, DBSG32 and DBSG74 samples could be desirable for industrial uses owing to no overoxidation.

Wheat germ, a byproduct of the wheat milling industry, as a beneficial source of anti-aging polyamines: A quantitative comparison of various forms.

Polyamines have received a lot of attention since the 1990s because of their anti-aging, anti-chronic disease, and proliferative effects. Wheat germ was reported as one of the natural sources of high polyamine, especially spermidine. The current study used three types of wheat germ: group A was industrially separated germ from whole grain, group B was the commercially available germinated wheat germ, and group C was manually separated wheat germ from germinated grain. The polyamine content of putrescine, spermidine, and spermine has been determined using a simplified isocratic LC-MS/MS method. An optimized extraction procedure was performed on all seven samples for obtaining a polyamine-enriched extract. The three dominant carbomylated polyamines were identified by analyzing the extracted samples in order to determine their relative abundance. Wheat germ powders contain the highest amount of polyamines (220-337 µg/g) of which spermidine is one of the most important. Germinated wheat grains, on the other hand, contain the least amount of this polyamine. The commercially available separated wheat germs are suggested as a good nutrition source of these polyamines.