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The identification of antiplasmodial lead compounds from the dry seeds of Piper guineense has been performed using a bioassay-directed protocol. Briefly, its methanolic seeds extract has been suspended in water and partitioned using n -hexane, dichloromethane, ethyl acetate and n -butanol to afford four main fractions A−D which were further submitted to antiplasmodial assay against Plasmodium falciparum 3D7. The bioassay results showed that its dichloromethane-soluble fraction has the highest potency with 31.8 % of the parasite P. falciparum 3D7 survival. The purification of the active fraction with successive column chromatography led to the isolation and identification of eleven compounds including six piperine-type amides (1 − 6), two lignans (7 and 8), one fatty acid (9), and two steroids (10 and 11). The antiplasmodial assay of compounds 1 − 8 against the two strains Pf 3D7 and Pf Dd2 showed that only the alkaloids 1 − 6 displayed moderate potencies with the highest IC 50 values of 17.4 ± 0.7 µ g/mL (for 6 against Pf 3D7) and 14.6 ± 0.3 µ g/mL (for 2 against Pf Dd2). Furthermore, the cytotoxicity of the tested compounds against Vero cell lines showed that only compounds 5 and 6 displayed a cytotoxicity with CC 50 values of 335.4 ± 7.6 µ g/mL and 151.8 ± 2.4 µ g/mL, respectively, while their selectivity index limits an acceptable range. The results support the use of the plant in folk medicine for handling malaria, and demonstrate that piperine-type amides are responsible for the antiplasmodial activity of P. guineense and are good leads in the development of safe and potent antimalarial drugs. [Display omitted] • This is the first antiplasmodial bio-guided study of Piper guineense seeds. • Eleven compounds have been isolated from the most bioactive fraction. • The piperine-type amides piperic acid (6) and guineensine (2) showed the highest potencies with IC 50 = 17.4 ± 0.7 µ g/mL against Pf 3D7 and IC 50 = 14.6 ± 0.3 µ g/mL against Pf Dd2, respectively. • The antiplasmodial compounds were weaker or not cytotoxic against Vero cells line and displayed a good selectivity index that both classified them as good candidates for safe drug development. [ABSTRACT FROM AUTHOR]

[Display omitted] Iodocyclization of N -(2-alkenylphenyl)carboxamides with acetoxybenziodoxolone/NaI system gives 4-iodomethyl- 4 H -3,1-benzoxazines with high efficiency. The process is triggered by the oxidation of NaI with acetoxybenziodo- xolone to afford iodine cation which is added to alkene moiety to form iodonium species, and the ultimate intra- molecular nucleophilic addition generates the final products. [ABSTRACT FROM AUTHOR]

Nitriles (R−C N) comprise a broad group of chemicals industrially produced and used in fine chemicals, pharmaceuticals, and bulk applications, polymer chemistry, solvents, etc. Nitriles are important starting materials for producing carboxylic acids, amides, amines, and several other compounds. In addition, some volatile nitriles have been evaluated for their potential as ingredients in fragrance and flavor formulations. However, many nitrile synthesis methods have drawbacks, such as drastic reaction conditions, limited substrate scope, lack of readily available reagents, poor yields, and long reaction times. In contrast to chemical synthesis, biocatalytic approaches using enzymes can produce nitriles without harsh conditions, such as high temperatures and pressures, or toxic compounds. In this review, we summarize the nitrile-synthesizing enzymes from microorganisms, plants, and animals. Furthermore, we introduce several examples of biocatalytic synthesis of volatile nitrile compounds, particularly those using aldoxime dehydratase. • Nitrile-synthesizing enzymes isolated from various organisms were discussed • Oxds are versatile, have broad substrate spectrum, and high substrate loadings • Flavorous nitriles can be synthesized under mild conditions using Oxds • Biocatalytical production of volatile nitriles could be a viable approach. [ABSTRACT FROM AUTHOR]

Amine-based adsorbents show great promise for removing low-concentration CO 2 from environmental control and life support systems (ECLSSs) to ensure crew safety and task execution. In this work, granular silica gel (SG) support was prepared by the extrusion–spheronization (ES) method, and amine-based adsorbent pellets were synthesized by impregnating the SG support with tetraethylenepentamine (TEPA). Dynamic CO 2 circulation removal tests were carried out under simulated confined space conditions in a 100 L chamber to evaluate the low concentration CO 2 removal performance of the adsorbent pellets. The effect of operating parameters on CO 2 removal performance was investigated by orthogonal experiments. CO 2 adsorption capacity and removal efficiency were significantly affected by CO 2 concentration and reaction temperature, while reaction rate was intimately depended on CO 2 concentration and gas flow rate. The maximum CO 2 adsorption capacity (0.55 mmol CO 2 /g), removal efficiency (83.25%) and reaction rate (0.93 mmol CO 2 /min) were achieved under the optimized conditions of 20 °C, 1.25%CO 2 and 2 L/min. A kinetic equation well representing the correlation between reaction rate and CO 2 concentration and gas flow rate was established. The TEPA-SG-ES adsorbent pellets exhibited satisfactory working stability, with CO 2 removal efficiency and adsorption capacity slightly decreased from 83.25% and 0.55 mmol CO 2 /g to 75.45% and 0.53 mmol CO 2 /g in 10 cycles, respectively. The slight decay in CO 2 adsorption performance was associated with the oxidative degradation of amine species in oxygenated atmosphere to form amide, nitrite and imine phases, and the change of amine distribution over the pellets in multiple cycles. Overall, the desired TEPA-SG-ES adsorbent pellets could be nice scavenger candidates for circulating purification of CO 2 in confined spaces. [ABSTRACT FROM AUTHOR]

[Display omitted] An efficient procedure for the preparation of furo[2,3- c ]-quinolin-4(5 H)-ones from 2-furoic acid N -(o -bromoaryl)- amides via selective intramolecular C(3)–H arylation of the furan nucleus involves the catalysis by a Pd/NHC system generated in situ from Pd(OAc) 2 and readily available IPrSPh HCl proligand. A series of novel furo[2,3- c ]quinolin-4(5 H)-ones were prepared in 65–80% isolated yields. [ABSTRACT FROM AUTHOR]

Recent clinical success with Onpattro and cationic ionizable lipid nanoparticle-based mRNA vaccines has rejuvenated research in the design and engineering of broader synthetic cationic vectors for nucleic acid compaction and transfection. However, perturbation of metabolic processes and cytotoxicity are still of concern with synthetic cationic vectors. Here, through an integrated bioenergetic and biomembrane integrity probing in three different human cell lines we reveal the dynamic effect of a library of sequence-defined four-arm oligo(ethanamino)amide transfectant on cell homeostasis, and identify metabolically safe building units over wide concentration ranges. The results show differential effects of the oligo(ethanamino)amide structure of comparable molecular weight on cell energetics. The severity of polycation effect on bioenergetic crisis follows with the length of continuous protonatable diaminoethane motif in the ascending order of glutaryl-triethylene tetramine, succinyl-tetraethylene pentamine and succinyl-pentaethylene hexamine. We further identify oligomeric structures that do not induce bioenergetic crisis even at high concentrations. Finally, transfection studies with a library of polyplexes carrying a reporter gene show no correlation between transfection efficiency and cytotoxicity. These observations demonstrate the usefulness of integrated high-resolution respirometry and plasma membrane integrity probing as a highly sensitive medium-throughput screening strategy for identification and selection of safe building units for transfectant engineering. [Display omitted] • Cytotoxicity of a library of sequence-defined polyethylenimine analogs is tested. • The protonatable diaminoethane motif in the polyethylenimine analogs dictates toxicity. • Cytotoxicity correlate with the length of diaminoethane motif. • High transfection efficiency is not necessarily accompanied by greater cytotoxicity. [ABSTRACT FROM AUTHOR]

Commelina africana L. is widespread in southern Africa, including DR Congo, where it traditionally used for skin disorders. Although an ethnobotanical survey was carried out before, no relevant phytochemical information is available. The aim of this study was to perform the phytochemical characterisation of C. africana and to discuss the potential bioactivity of the identified phytochemical constituents. Ultra-performance liquid chromatography with electrospray ionization quadrupole time-of-flight mass spectrometry (UPLC-ESI-QTOF-MS) was used for profiling and identification of the main phytochemical constituents from leaf extracts (MeOH 90%, DCM, EtOAc, n -BuOH, n -hexane and residue) of C. africana. Twenty-two constituents, comprising flavonoids, phenolic acids, hydroxycinnamic acid amides and lignanamides were identified. Most of the identified compounds are known to have antioxidant and anti-inflammatory properties, which could at least in part explain the traditional use of C. africana against skin disorders. [Display omitted] • Phytochemical characterisation of commelina africana by means of UPLC-ESI-QTOF-MS. • Identification of twenty-two flavonoids, phenolic acids, amides and lignanamides. • The identified constituents may explain the traditional use of commelina africana. [ABSTRACT FROM AUTHOR]

• Preparation of new series of Gemini cationic surfactant. • Evaluating surface and thermodynamic parameters of the prepared amphiphiles. • The different analyses confirm the structure of the prepared amphiphiles. • The prepared amphiphiles were evaluated as antibacterial agents against both gram negative and positive bacteria and fugi. Three Gemini amphiphiles had prepared through reaction of amide of succinic acid with different bromo olefins. Their chemical structure was emphasized different spectroscopic methods. the surface tension measurements were investigated at 20, 40 and 60 °C. The Gemini surfactant with the longest tail clarified enhancement of surface parameters values with elevating mixture temperature. Both (ΔGo ads) & (ΔGo mic) data are negative, providing spontaneously occurrence of adsorption and micellization processes while the positivity of (ΔSo ads) &(ΔSo mic) revealing more order for both processes. Thermodynamic behaviour increases by raising chain length. All of fabricated amphiphiles exhibited antimicrobial activity against bacteria and fungi. [ABSTRACT FROM AUTHOR]

The tailoring of nanofiltration membranes for the precise separation of mono/divalent ions often involves complicated procedures to modify the surface chemistry and structure. Herein, an efficient sodium hypochlorite (NaClO) activation method is developed to tune the selective layer of cross-linked polyimide (PI)/polyethersulfone (PES) dual-layer hollow fiber membranes. By oxidizing the hydroxyl and imine groups while hydrolyzing the amide groups in the cross-linked structure, the membranes are effectively tailored with the negatively charged surface and a more open pore structure with 0.47 nm mean effective pore size. The NaClO-activated membranes show over 97.85% rejection of Na 2 SO 4 while the NaCl rejection decreases from 93.83% to − 19.85% during treating the mixed ions solutions. The fabricated membranes with high separation efficiency and long-term stability exhibit vast potential for the separation of mono/divalent ions in industries. Moreover, the elaborated NaClO activation mechanism potentially gives fundamentals for the modification of the PI membranes with cross-linked structures for other applications. [Display omitted] • NaClO activated dual-layer hollow fiber NF membranes were fabricated. • NaClO activation oxidizes the imine groups and hydrolyzes the amide groups. • The membranes are tailored negatively charged with loose structure by activation. • The activated membranes show a high SO 4 2-/Cl- selectivity over 117. [ABSTRACT FROM AUTHOR]

• Analysis of 58 fentanyl analogs as detected by the ARK II and Immunalysis fentanyl immunoassays. • Prediction of each immunoassay epitope allows for hypothesis of future analog detection. • Comparison of assay performance between the two vendors. • Comparison to native patient samples indicates both assays are sensitive and specific. • Both assays detect the majority of analogs indicating "false positive" screens that do not confirm for fentanyl may be detecting analogs instead. The ability to detect fentanyl analogs in urine aids in patient management. Little is published about the new ARK™ Fentanyl II Assay formulation's ability to detect fentanyl analogs. Norfentanyl (fentanyl metabolite) cross-reactivity with the ARK II assays is 7%, while the Immunalysis SEFRIA assay norfentanyl cross-reactivity is approximately 0.005%. The purpose of this study was to determine the new ARK II and SEFRIA fentanyl assays' detection of 58 fentanyl analogs. Drug-free urine was fortified with 0–100 ng/mL (0–0.297 µmol/L) of the fentanyl analog and analyzed using the previously evaluated immunoassays. Results were compared to molecular structure. Of the 58 analogs tested at ≤ 100 ng/mL (0–0.297 µmol/L), the ARK II and SEFRIA assays produced 51 and 57 positive results respectively. The cross-reactivity of the assay was predominantly determined by the location of the modification. Most modifications to the aniline ring and/or amide group did not affect the ARK II or SEFRIA assay. Modifications to the piperidine ring decreased detection by ARK II assay. Of the 7 compounds which were undetected by the ARK II assay, all had modifications to the N -alkyl chain. Norsufentanil was not detected by either assay and was the only analog not detected by the SEFRIA assay. The ARK II and Immunalysis fentanyl immunoassays can detect a range of fentanyl analogs with acryl, butyryl, or furanyl modifications to the amide group or aniline ring of the molecule. N -alkyl chain and piperidine ring modifications significantly affect the ARK II assay's ability to detect the analogs, while the SEFRIA assay appeared less affected and detected all analogs tested except for norsufentanil, which was also not detected by the ARK II assay. [ABSTRACT FROM AUTHOR]

Context: Noninvasive brain stimulations (NIBS) have been increasingly applied to the patients with neuropathic pain (NP), while the effectiveness of NIBS in the management of NP is still conflicting.Objectives: To examine the effectiveness of NIBS on pain and depression symptoms of patients with NP.Methods: A comprehensive literature retrieval was performed on MEDLINE, Embase, PsycINFO, PEDro, and CENTRAL from the establishment of the databases to June 2021. Randomized controlled trials comparing NIBS with sham stimulation were included.Results: A total of thirteen trials comprising 498 participants met the inclusion criteria. The pooled analysis found a significant effect on the improvement of pain scores at post-treatment, favoring NIBS over sham stimulation (SMD = -0.60; 95% CI: -1.00 to -0.20; P = 0.004). Subgroup analysis showed that only transcranial direct current stimulation (tDCS) (SMD = -0.38; 95% CI: -0.71 to -0.04; P = 0.030) and high-frequency repetitive transcranial magnetic stimulation (H-rTMS) (SMD = -0.95; 95% CI: -1.85 to -0.04; P = 0.040) had positive effects on pain reduction among all types of NIBS. The favorable effects of NIBS remained significant at follow-up visit (SMD = -0.51; 95% CI: -0.79 to -0.23; P = 0.000), while only H-rTMS was found in subgroup analyses to significantly improve pain scales of the patients (SMD = -0.54; 95% CI: -0.85 to -0.24; P = 0.000). Additionally, overall NIBS showed no beneficial effect over sham stimulation in reducing depression symptoms of NP patients either at post-treatment (SMD = -0.19; 95% CI: -0.39 to 0.01; P = 0.061) or at follow-up visit (SMD = -0.18; 95% CI: -0.45 to 0.10; P = 0.202).Conclusion: This meta-analysis revealed the analgesic effect of NIBS on patients with NP, while no beneficial effect was observed on reducing concomitant depression symptoms. The findings recommended the clinical application of NIBS in patients with NP. [ABSTRACT FROM AUTHOR]

Aim: To investigate the optimal amide proton transfer (APT) imaging parameters for bladder cancer (BCa), the influence of different protein concentrations and pH values on APT imaging, and to establish the reliability of APT imaging in healthy volunteers and patients with BCa.Materials and Methods: The optimal APT imaging parameters for BCa were experimentally optimised using cross-linked bovine serum albumin (BSA) phantoms. BSA phantoms were scanned with different values for the saturation power, saturation duration and number of excitations. Meanwhile, BSA phantoms containing different protein concentrations and solutions of different pH levels were scanned. The interobserver agreement of the asymmetric magnetisation transfer ratio (MTRasym) was assessed in 11 healthy volunteers and 18 patients with BCa.Results: The optimal scanning scheme consisted of 1 excitation, a saturation power of 2 μT, and a saturation time of 2 s. The APT signal intensity increased as the protein concentration increased and as the pH decreased. The MTRasym showed good concordance for all subjects. The MTRasym of BCa tissue was significantly higher (1.81 ± 0.71) than that of bladder wall in healthy volunteers (0.34 ± 0.12) and normal bladder wall in patients with BCa (0.31 ± 0.11; p<0.001). There was no significant difference between the bladder wall of healthy volunteers and the normal bladder wall of patients with BCa.Conclusion: APT imaging showed potential value for application in BCa. [ABSTRACT FROM AUTHOR]

Purpose: This cohort study evaluates therapeutic efficacy and adverse events (AEs) of various overactive bladder (OAB) medications for patients with central nervous system (CNS) disorders.Methods: Patients with OAB and CNS disorders were prospectively enrolled. They were randomly allocated to 3 different treatment subgroups: (1) mirabegron 50 mg once daily (2) solifenacin 5 mg per day, and (3) combined solifenacin 5 mg and mirabegron 50 mg once daily. Efficacy and safety questionnaires and objective parameters were compared among the subgroups, and subgroups between baseline and 3 and 6 months after treatment. AEs, including cognitive dysfunction, were assessed using the Mini-Mental State Examination (MMSE).Results: 102 patients (mean age, 71.8 ± 8.7 years) were enrolled, including 35, 36, and 31 patients received mirabegron monotherapy, solifenacin monotherapy, and combination therapy, respectively. OAB symptoms scores all significantly improved 3 months after treatment in different subgroup. However, PVR increased and VE decreased significantly after treatment in patients receiving solifenacin monotherapy and combination therapy. Dry mouth and constipation were the most common AEs, especially in the solifenacin and combination subgroups. Mild incidence of AEs was noted in patients receiving mirabegron monotherapy. No significant change in MMSE was noted among the subgroups after treatment.Conclusion: OAB medication had good therapeutic efficacy in patients who had OAB with CNS disorders, especially in cerebrovascular accident and parkinsonism. No OAB medication or their combination affected cognitive function, whereas minimal AEs were noted with mirabegron. Mirabegron could be recommended as the first choice for managing OAB in these patients. [ABSTRACT FROM AUTHOR]

[Display omitted] Although the use of thermoplastic polyurethane (Tpu) nanofiber mats as wound dressings is of great interest due to their mechanical properties, they are hindered by their poor wettability and bioavailability. In this study, we aimed to improve the cellular affinity of Tpu nanofiber mats for skin disorders by incorporating extracted collagen (Col) from tendons and physically mixed with a layer of phytoceramides (Phyto) to produce TpuCol@X-Phyto mats in which the weight % of Phyto relatively to the weight of the solution was X = 0.5, 1.0, or 1.5 wt% via facile electrospinning approach. The collective observations strongly indicate the successful incorporation and retention of Phyto within the TpuCol architecture. An increase in the Phyto concentration decreased the water contact angle from 69.4° ± 3.47° to 57.9° ± 2.89°, demonstrating improvement in the hydrophilicity of Tpu and binary blend TpuCol nanofiber mats. The mechanical property of 1.0 wt% Phyto aligns with practical requirements owing to the presence of two hydroxyl groups and the amide linkage likely contributing to various hydrogen bonds, providing mechanical strength to the channel structure and a degree of rigidity essential for transmitting mechanical stress. The proliferation of human skin fibroblast (HSF) peaked significantly 100 % with TpuCol@X-Phyto mats coated for X =1.0 and 1.5 wt% of Phyto. Electrospun scaffolds with the highest Phyto content have shown the lowest degree of hemolysis, demonstrating the high level of compatibility between them and blood. The TpuCol@1.5Phyto mat also demonstrated higher efficacy in antibacterial and antioxidant activities, achieving a rate of DPPH radical scavenging of 83.3 % for this latter property. The most notable wound closure among all tested formulations was attributed to higher Phyto. Thus, the developed TpuCol@1.5Phyto nanofiber formula exhibited enhanced healing in an in vitro epidermal model. [ABSTRACT FROM AUTHOR]

The ratio of IL and DVB was adjusted to synthesize a series of poly(ionic liquid)s with a hierarchical pore structure and high solubility. The amide and hydroxyl functional groups, acting as dual hydrogen bond donors, worked with the bromine anion of the ionic liquids in the ring-opening reaction of propylene oxide. Furthermore, the introduction of amide also positively impacted CO 2 adsorption. Multiple active sites work efficiently and synergistically, showing good efficacy in CO 2 capture and conversion [Display omitted] • Poly(ionic liquid)s with dual hydrogen donor groups for efficient CO 2 conversion into cyclic carbonates. • The catalyst exhibiting comparable catalytic activity to the ionic liquid. • By adjusting the ratios of monomer, the catalysts with a hierarchical porous structure not only improve CO 2 adsorption but also facilitate the dispersion of the active sites in the polymer. • Combining DFT and in-situ FT-IR spectroscopy analysis discovers a plausible mechanism. CO 2 capture and conversion to high-value-added products is critical for the purposes of environmental preservation and carbon resource utilization. In this study, a novel class of porous poly(ionic liquid)s has been synthesized, incorporating dual hydrogen bond donors (amide and hydroxyl groups) and nucleophiles (Br-) as multiple effective active sites for the cycloaddition reaction between CO 2 and epoxides. The presence of dual hydrogen bond donors not only provides two active sites for synergistic catalysis with epoxides but also enhances the capacity for CO 2 adsorption. Comprehensive characterization has been conducted to elucidate the structural features and properties of these innovative materials. By regulating the ratio between ionic liquid monomer and divinylbenzene, a hierarchical porous structure favorable for the reaction was constructed, resulting in optimized catalytic activity comparable to that of bulk ionic liquid monomers. Furthermore, this catalyst exhibits remarkable structural stability with minimal activity loss even after five consecutive use cycles. Combining density functional theory calculations with in-situ Fourier transform infrared spectroscopy analysis, the catalytic mechanism was proposed that the dual hydrogen bond donors and Br- synergistically promote ring-opening reactions of epoxides, while amide groups serve as basic sites to enhance CO 2 adsorption during the reaction process. [ABSTRACT FROM AUTHOR]

• A series of 16 compounds were synthesised and characterised, including X-ray analysis. • The redox potentials of the ferrocene amides were determined by cyclic voltammetry. • The 6-31G* and 6-311+G* base sets were employed to calculate the redox potentials. • The DFT calculation data showed a good correlation with the experimental results. Herein we report on the synthesis and characterization of a number of the simplest ferrocenes, namely Fc-amides (4a-i), Fc-amines (5a-i) and Fc-alcohol (1), as starting materials for the synthesis of redox-active ferrocene-modified compounds. Suitable conditions allowed preparing a seria of various ferrocenes with aliphatic and aromatic substituents in good to high yields. The title products were characterized by 1H, 13C NMR, IR, ESI-MS analytical methods. The structure of ferrocenyl(ortho -chlorophenyl) methanol (1) was determined by single-crystal X-ray diffraction. Geometrical parameters in compound 1 were calculated using the ab initio MP2/6-31G* method and based on the advanced DFT calculations, DFT wb97xd/6-31G* and DFT wb97xd/6-311+G*. Electrochemical investigations by cyclic voltammetry revealed reversible redox processes for the ferrocenyl amides. Potentials were also calculated using two basis sets, 6-31G* and 6-311+G*, and demonstrated a high degree of correlation with experimental results. [Display omitted] [ABSTRACT FROM AUTHOR]

• Synthesis of a series of novel amide analogs of Gemifloxacin modified at C-3 position to combat antimicrobial drug resistance and their ADMET studies. • Utilization of a quick and efficient Schotten Bau-mann reaction approach for synthesis with high yields and short reaction times followed by characterization with various spectral techniques. • Energy gaps examined by DFT calculations indicating good softness, thermal, and kinetic stability of the synthesized compounds. • Novel C-3 modified analogues (G-D03, G-D04, G06, and G-D07) show higher activity than the parent molecule against K. pneumonia, Citrobacter ferundii , and C. albicans , demonstrating strong antibacterial and antifungal potential. • High binding affinity of complexes, ranging from −14.31 to −16.20 kcal/mol, against Klebsiella pneumoniae cytidine deaminase CDA protein, confirmed the potential of novel amide analogues as promising antibacterial agents. In search of a newer, efficient, and adaptable antimicrobial solution to combat the resistance that has developed due to the widespread extensive and in appropriate use of antibiotics. Seven new amide analogs of Gemifloxacin (G-D01-G-D07), an important member of the fluoroquinolone (FQ's) was synthesized by modifying the C-3 position in a quick and facile way, using Schotten Baumann reaction approach exhibiting highly efficient yields and short reaction times. Their in-silico pharmacokinetic and toxicity studies were determined by SwissADME and Protox-II webserver, and found that all the compounds obeys the lipinski's rule and didn't exhibit any vital organ toxicity. The introduction of selected amines to form amide analogs (G-D01-G-D07) was assured by their spectroscopic characterization, structural stability studies by DFT parameters and Microbiological assay evaluates these synthesized analogs as potent antibacterial and antifungal agents against studied species. At the B3LYP/6–311 G level of theory, the molecular structures, reactivity, and electronic characteristics of candidate compounds exhibiting the most promising antibacterial actions were examined, and their quantum mechanical parameters were calculated. The energy gaps of all the synthesized compounds were found in ranges between 0.1088 and 0.1091 eV, indicating good softness, thermal and kinetic stability. This can be correlated by the activity of these analogs against Klebsiella pneumonia , and Citrobacter freundii , where synthesized derivatives G-D06 and G-D03, G-D04, and G-D07 exhibit activities more than the parent drug. The binding affinity of complexes revealed by docking was found in the range between -14.31 and -16.20 kcal/ mol, which indicates their high antibacterial potential against one of the major targets Klebsiella pneumoniae cytidine deaminase CDA protein by using AutoDock Vina and MD simulations by GROMACS, confirming them as potential antibacterial agents. [ABSTRACT FROM AUTHOR]

Livestock effluents are challenging to be treated owing that antibiotics and microplastics are untargeted for most biological technologies. As far, microalgal wastewater treatment is recognized as an effective technique for dealing with. In this study, a continuous-flow system was conducted over 45 days to evaluate the effectiveness of Chlamydomonas sp. JSC 4 in removing tetracycline (TCH) under the influence of polystyrene (PS). It shows that PS significantly enhanced the dissipation efficiency of TCH from livestock effluents, and 9.83 % TCH removal was increased under 5 mg/L of both TCH and PS exposure. Meanwhile, higher microalgal bioactivity was a significant factor in achieving desirable pollutants removal efficiency, as 87.14 % microalgal biomass was improved owing to reduction of oxidative stress and augmentation of photosynthesis. Importantly, the pivotal active sites, NH2 and C O, were rapidly covered via π-π interactions and hydrogen bonds during adsorption process between TCH and PS, accounting for mitigation of TCH-PS complexes toxicity and improvement of microalgal ribosome metabolism. Additionally, co-exposure to TCH and PS resulted in maximum lipids (0.57 g/L) and energy (20.79 kJ/L) production, further encouraging a fantastic vision for the tertiary process of livestock effluents via advanced microalgal treatment. [Display omitted] • PS exposure enhanced approximately 25.6 % TCH removal in microalgal treatment. • Improving microalgal bioactivity was the main key to the pollutants removal. • Covered amide groups were crucial in reducing toxicity of complex pollutants. • PS facilitated microalgae's lipids and energy production under TCH exposure. • Microalgal treatment satisfied with the advanced treatment of livestock effluents. [ABSTRACT FROM AUTHOR]

• Transamidation is the key reaction in organic synthesis. • Metal-Catalysed transamidation of unactivated amides. • Various transition and non-transition metals have been used as catalyst. Amides played a vital role in the development of organic synthesis in recent years. These structural motifs are found in several biologically important synthetic and naturally occurring compounds. Developing efficient methods for their synthesis is crucial for drug discovery. Transamidation is a prominent tool in organic and medicinal chemistry, enabling the replacement of the amine group in an existing amide with new functionalised amines. Additionally, Transamidation process is used significantly in the total synthesis of few naturally occurring compounds. Transamidation reaction has been achieved significantly by using metal catalysis but there are several metal-free approaches have been employed to achieve the same reaction. This review focuses on recent literature concerning metal-catalysed transamidation reactions, highlighting the use of alkaline earth metals, transition metals, lanthanides, actinides, alkali metal salts or complexes, and metalloids. Both catalytic and stoichiometric quantities of catalysts are discussed for their roles in enhancing reaction efficiency. [Display omitted] [ABSTRACT FROM AUTHOR]

Goji berry is a general term for various plant species in the genus Lycium. Goji has long been historically used in traditional Chinese medicines. Goji is a representative tonic medicine that has the effects of nourishing the liver and kidney and benefiting the essence and eyesight. It has been widely used in the treatment of various diseases, including tinnitus, impotence, spermatorrhea and blood deficiency, since ancient times. This study aims to comprehensively summarize the quality evaluation methods of the main compounds in goji, as well as the current research status of the phenolamides in goji and their pharmacological effects, to explore the feasibility of using phenolamides as quality control markers and thus improve the quality and efficacy in goji. Relevant literature from PubMed, Web of Science, Science Direct, CNKI and other databases was comprehensively collected, screened and summarized. According to the collected literature, the quality evaluation markers of goji in the Pharmacopoeia of the People's Republic of China are Lycium barbarum polysaccharide (LBP) and betaine. As a result of its structure complexity, only the total level of LBP can be determined, while betaine is not prominent in the pharmacological action of goji and lacks species distinctiveness. Neither of them can well explain the quality of goji. KuA and KuB are commonly used as quality evaluation markers of the Lycii cortex because of their high levels and suitable pharmacological activity. Goji is rich in polyphenols, carotenoids and alkaloids. Many studies have used the above compounds to establish quality evaluation methods but the results have not been satisfactory. Phenolamides have often been neglected in previous studies because of their low single compound levels and high separation difficulty. However, in recent years, the favorable pharmacological activities of phenolamides have been gradually recognized, and studies on goji phenolamides are greatly increasing. In addition, phenolamides have higher species distinctiveness than other compounds and can be combined with other compounds to better evaluate the quality of goji to improve its average quality. The phenolamides in the goji are rich and play a key role in antioxidation, anti-inflammation, neuroprotection and immunomodulation. As a result of their characteristics, it is suitable to evaluate the quality by quantitative analysis of multi-components by single-marker and fingerprint. This method can be combined with other techniques to improve the quality evaluation system of goji, which lays a foundation for their effectiveness and provides a reference for new quality evaluation methods of similar herbal medicines. [Display omitted] • This review comprehensively examined the existing quality control methods for chemical components in goji. • Goji phenolamides possess a variety of pharmacological activities, including antioxidant and neuroprotective effects. • Phenolamides are suitable markers for evaluating goji quality using QAMS. [ABSTRACT FROM AUTHOR]

• The influence of methyl group in amide extractants on olefin extraction was studied by LLE and quantum chemical calculations. • The olefin selectivity is determined by the difference in electrostatic interaction. • Dispersive and electrostatic interactions both contribute to the olefin distribution coefficients. • The amount and intensity of C-H⋯O interactions and N/C-H⋯π interactions are all affected by methyl groups in extractants. • The existence of the C–H⋯O and N–H⋯π interactions were verified by the infrared spectroscopy. In this work, the influence mechanism of methyl group in the structure of amide solvent on the extraction and separation of alkene (1-hexene or 1-octene) from n-heptane has been studied by a combination of liquid–liquid equilibrium (LLE) experiments and quantum chemical calculations. For LLE experiments, as the number of methyl groups in the extractant structure increases, its selectivity for alkene (1-hexene or 1-octene) gradually decreases, and the distribution coefficients of alkene (1-hexene or 1-octene) and n-heptane gradually increase. In the interaction between 1-hexene and extractant, the amount and intensity of C-H⋯O interactions, as well as the presence or absence of N/C-H⋯π interactions and their intensities, are all affected by the amount (0,1,2,3) of methyl group introduced into the amide solvent. The existence of the C-H⋯O and N-H⋯π interactions were verified by the infrared spectroscopy. With increasing methyl group amounts in the extractant structure, the dispersion interaction strengthens, while the contribution percentage of electrostatic interaction and Δ E elst /Δ E declines, leading to the increase of distribution coefficient and decrease of selectivity for alkene (1-hexene or 1-octene) respectively. [ABSTRACT FROM AUTHOR]

[Display omitted] In this work, Raman scattering measurement combined with multivariate curve resolution (Raman-MCR) technique has been used to obtain the solute correlated spectra (SC) of N-methyl-acetamide (NMA) in an aqueous medium. The SC spectra is composed of NMA intramolecular vibrations and NMA induced-perturbations of water OH stretch vibrations. The SC spectra obtained for different mole-fractions of NMA reveal that as the mole-fraction of NMA increases the perturbed water interacting with the amide group is retained whereas it gets depleted from the hydrophobic hydration shell of the methyl group of NMA. The high wavenumber region of the OH spectrum shows that the fraction of the weakly hydrogen-bonded population is higher in the bulk water compared to perturbed water. The Raman spectra of perturbed OH spectral features due to hydration of the hydrophobic methyl group of NMA have been extracted from SC spectra obtained at low mole-fraction of NMA by the MCR technique. Its spectral feature resembles the SC-OH spectra of hydrophobic hydration of the methyl group of methanol. [ABSTRACT FROM AUTHOR]

[Display omitted] In this study, we report on the ability of DMTMM PF 6 to improve the amidation reaction. The on-DNA amidation reaction using DMTMM PF 6 demonstrates higher conversion rates than those using HATU or DMTMM Cl, particularly with challenging sterically hindered amines and carboxylic acids. The developed method enables the expansion of available building blocks and the efficient synthesis of high-purity DNA-encoded libraries. [ABSTRACT FROM AUTHOR]

• A novel compound comprising an acyl-thiourea and amide functional in a single molecular architecture (VII) was successfully prepared in high yield. • SC-XRD, Molecular Docking (MD) study against jack bean urease enzyme, DFT and Hirshfeld analyses were carried out. • Electrostatic interactions, dispersion effects, and total energy components proposes that the primary factor driving crystal stabilization is the electrostatic energy contribution. • The MD studies reveal notable H-bonding, C H π interactions with the active site of urease signifying a potent inhibitor. The new compound 3-methyl- N -((4′-(3-methylbenzamido)-[1,1′-biphenyl]-4-yl)carbamothioyl) benzamide (VII) was prepared with a room temperature procedure. It was synthesized in situ in three steps with an excellent yield of 85 %. The chemical structure of VII was confirmed spectroscopically. Its molecular structure was determined by X-ray structural analysis and then used for a docking study with jack bean urease enzyme. The obtained coordinates were further used for comprehensive DFT and Hirshfeld analyses. Evaluation of the combination of electrostatic interactions, dispersion effects, and total energy components suggests that the primary factor driving crystal stabilization is the electrostatic energy contribution. The molecular docking studies of VII reveal that the combination of acyl-thiourea with an amide functional group (known for their importance in artificial drug design) facilitated a good docking score of -8.7 Kcal/mol. Notable hydrogen bonding and C H π interactions were found. The presence of very efficient hydrogen bonding interactions with the active site of jack bean urease emphasizes that the molecule might serve as a rather potent actual inhibitor for urease enzymes. [Display omitted] [ABSTRACT FROM AUTHOR]

A chemical investigation of the aerial parts of Piper sarmentosum resulted in the isolation and identification of 14 amide alkaloids, including three new amide alkaloids, pipersarmenoids A − C (1 – 3), three new natural amide alkaloids, pipersarmenoids D − F (4 – 6), and 8 known analogues, N- p -coumaroyltyramine (7), piperlotine C (8), piperlotine D (9), pellitorine (10), sarmentine (11), aurantiamide acetate (12), 1-cinnamoyl pyrrolidine (13) and sarmentamide B (14). Their structures were determined by spectroscopic analysis including HRESIMS and 1D and 2D NMR. The cytotoxicity, neuroinflammation-inhibiting and acetylcholinesterase (AChE) inhibitory activities of those compounds were tested. Compounds 1 , 2 and 12 inhibited NO production induced by LPS in BV2 cells with IC 50 values of 9.36, 12.53 and 10.77 μM, respectively. Moreover, 1 , 2 , 7 and 11 showed moderate inhibitory activity on AChE with IC 50 values ranging from 37.56 to 48.84 μM. [Display omitted] [ABSTRACT FROM AUTHOR]

The pericarps of Zanthoxylum schinifolium Sieb. et Zucc were called "green huajiao ", which were used as traditional folk medicine and popular seasoning in China. In this study, twenty-seven alkylamides, including a rare alkylamide containing two amide groups (1), an alkylamide with a furan ring (5), six new alkylamide analogues (2 – 4 , 6 – 8), together with nineteen known alkylamides (9 – 27) were isolated from green huajiao. Their structures were elucidated by extensive spectroscopic analysis, including 1D, 2D NMR, HRESIMS, and UV spectra. Furthermore, compounds 5 , 18 , 21 , and 22 exhibited weak protective activity for corticosterone-induced PC12 cells damage. [Display omitted] • Eight previously undescribed and nineteen known alkylamides were isolated from the green huajiao. • Compound 1 was the first example of alkylamide with two amide moieties and compound 5 was an alkylamide containing a rare furan ring. • Compounds 5 , 18 , 21 , and 22 exhibited potential neuroprotective effects against corticosterone-induced damage in PC12 cells. [ABSTRACT FROM AUTHOR]

[Display omitted] • Picolinamide based Pt(II) complexes with different ancillary groups were synthesised. • Kinetics study with l -cysteine and N-acetyl- l -cysteine was analysed. • DNA and BSA interaction and molecular docking with the complexes are performed. Picolinamide is a versatile chelating ligand and it reveals peculiar behaviour for metal chelation, particularly for its amide group. The bonding mode of N & O donor centres of an amide group depends on the metal ion, their associated charge and the other associated ligands in metal complexes. Picolinamide (pica) based Pt(II) complex C1 to C4 were synthesized and their bonding mode with Pt(II) was established by different spectroscopic analyses and theoretical approaches for their structural importance and potential anticancer activity. The complex [Pt(pica)Cl 2 ]; C1 was synthesized and its hydrolyzed product [Pt(pica)(OH 2) 2 ](ClO 4) 2 ; C2 was obtained from hydrolysis of complex C1. The kinetic and mechanistic study for the interaction of complex C2 with l -cysteine (l -cys) and N -acetyl- l -cysteine (N -ac- l -cys) was performed in pseudo-first-order reaction condition to evaluate the rate constants, rate equation, enthalpy of activation (ΔHǂ) and entropy of activation (ΔSǂ). Sulfur chelated complex [Pt(pica)(l -cys)]+; C3 and [Pt(pica)(N -ac- l -cys)]; C4 were obtained when a 1:1 M ratio of C2 and thiol are mixed separately. Theoretical investigation on drug likeness property was evaluated by PASS prediction software. The theoretical approach on structural properties like; structural optimization, HOMO-LUMO energy, TD-DFT simulation, MEP and reactivity descriptors of the complexes were executed and analyzed with the Gaussian09 software package. Molecular docking of the complexes was executed with DNA and BSA. [ABSTRACT FROM AUTHOR]

Peppers (Piper nigrum L.) are distinguished by their pungent flavor and aroma. Piperine is a major acid-amide alkaloid with a piperidine ring that gives pepper its flavor and scent. In plant metabolomics research, the accessibility of the chemical standards is critical for scientific credibility. We isolated and identified 10 novel dimers of acid amide alkaloids (9–15 and 20–22), along with 12 known monomers (1–6) and dimers (7 , 8 , 16 – 19) from black pepper. Subsequently, we found the distribution of monomers and dimers of acid amide alkaloids in black and white peppers by twenty-two acid amide alkaloids which we obtained using the molecular networking technique and multivariate analysis to reveal the molecular relationships between the acid amide alkaloids in black and white peppers. Our research delved into the chemical diversity of acid amide alkaloids in black and white peppers, which could help inform future culinary and potential medicinal utilization of pepper. [Display omitted] • Discovery of new dimeric acid amide alkaloids from pepper • Variations in acid amide alkaloids due to geographic and morphologic properties • More dimers with piperidine backbones are seen in white pepper. • The molecular networking predicts the undiscovered acid amide alkaloids in pepper. [ABSTRACT FROM AUTHOR]

Herein, a series of six chiral-amide bonded CoIIporphyrins containing L/D-alanine, phenylalanine and tryptophan were isolated and characterized. Interestingly, the surface crystallized CoIIporphyrins nanomaterials have the significant increase of the electrochemically catalyzed overall water splitting, and the tunable catalytic activities could be modulated by the enantiomeric isomers and the types of meso -substituted amino acids. Meanwhile, the surface crystallized CoIIporphyrins are stable in a wide range of medias which have provided the new insights of surface functionalization strategies towards enhanced overall water splitting. [Display omitted] • A series of six chiral-amide bonded CoIIporphyrins containing L/D-alanine, phenylalanine and tryptophan were prepared. • The surface crystallized CoIIporphyrins significant increase of the electrocatalyzed overall water splitting. • The surface crystallized CoIIporphyrins have the tunable morphologies and catalytic activities. [ABSTRACT FROM AUTHOR]

In sharp contrast with analysis of N -glycan that can be prepared by PNGase F, O -glycan analysis remains challenging due to a lack of versatile and simple procedures, especially those mediating cleavage of O -glycans from proteins. Most N -glycans and O -glycans are modified with sialic acids at the non-reducing end and their glycosidic linkages are labile, making it difficult to measure glycans by mass spectrometric analysis. In addition, sialic acid residues present on glycan chains via α2,3-, α2,6-, and α2,8-linkages as structural isomers. In this study, we firstly established a direct and linkage-specific derivatization method for sialylated O -glycans on proteins via linkage-specific lactone-opening aminolysis. In this procedure, labile sialylated glycans were not only stabilized, but also allowed distinguishing between sialyl linkages. Furthermore, we revealed that general reductive β-elimination was not useful for O -glycan cleavages with undesirable degradations of resulting methyl amides. Using β-elimination in the presence of pyrazolone (PMP), with low pH despite alkali base concentration, SALSA-derivatized O -glycans could be cleaved with minimal degradations. Cleaved and PMP-labeled O -glycans could be efficiently prepared in an open reaction system at high temperature (evaporative BEP reaction) and detected by simple liquid-phase extraction. Moreover, in the evaporative BEP reaction by changing the alkali solution with LiOH, the lithiated O -glycans could be observed and provided a lot of fragment information reflecting the complex structure of the O -glycans. Direct sialic acid linkage-specific derivatization of O -glycans on glycoproteins is simple protocol containing in-solution aminolysis-SALSA and acetonitrile precipitation for removal of excess reagents. Evaporative β-elimination with pyrazolone makes possible intact O -linked glycan analysis just by liquid-phase extraction. These analytical methods established by the appropriate combination of direct-SALSA and evaporative β-elimination will facilitate O -glycomic studies in various biological samples. [Display omitted] • Direct linkage-specific derivatization was established for sialylated O-glycans analysis. • Evaporative BEP made possible O-glycan cleavage without any degradations. • Combination of these methods enabled O-glycomic studies in various biological samples. [ABSTRACT FROM AUTHOR]

• Degradation and esterification of amide-based synthetic cannabinoids (SCs) by GC–MS. • Using analyte protectants (APs) prevents the degradation and esterification of SCs. • Using sorbitol as AP increases the sensitivity of the method 10-fold. • Fragmentation patterns of the degradant and ester products were investigated. • The method was successfully applied to other drugs of abuse such as morphine and THC. The forensic analysis of amide-based synthetic cannabinoids (SCs) in seized materials is routinely performed using gas chromatography-mass spectrometry (GC–MS); however, a major challenge associated with GC–MS is the thermolytic degradation of substances with sensitive functional groups. Herein, we report the comprehensive thermal degradation and ester transformation of amide-based SCs, such as AB-FUBINACA, AB-CHMINACA, and MAB-CHMINACA, during GC–MS analysis and their treatment with analyte protectants (APs). These SCs were found to undergo thermolytic degradation during GC–MS in the presence of non-alcohol solvents. Using methanol as an injection solvent resulted in the conversion of the amide group to an ester group, producing other SCs such as AMB-FUBINACA, MA-CHMINACA, and MDMB-CHMINACA. Degradant and ester product formation has been interpreted as the adsorption of target SCs on glass wool via hydrogen bonding interactions between the active silanol and amide groups of the SCs, followed by an addition and/or elimination process. The factors found to influence the thermal degradation and/or esterification of the amide functional group include residence time, activity of glass wool, and injection volume. This report presents the fragmentation patterns of all compounds that were produced by degradation and esterification. Using 0.5 % sorbitol (AP) in MeOH as an injection solvent resulted in complete protection and improvement of the chromatographic shape of the compounds. This method has been successfully confirmed in terms of sensitivity, linearity, accuracy, and precision for standard solutions and tablet extraction using 0.5 % sorbitol in MeOH. Using AP increased the sensitivity by ten times or more compared to the use of only MeOH. The limit of detection for all analytes was determined as 25 ng/mL, and the calibration curves were linear over the concentration range of 50–2000 ng/mL. The values of accuracy error were below 11 %, and precision was less than 13 %. The effects of phytochemicals of herbal products, tablet ingredients, and biological matrices on the degradation and/or esterification and APs performance have also been evaluated in this work. [ABSTRACT FROM AUTHOR]

• Experimental simplicity and the shorter reaction time are advantages of this strategy. • The methodology afforded a broad range of functionalized goal products up to 98 % yield. • The derivatization of products can obtain chalcogen-containing acetamides with potential biological activity. • A gram-scale synthesis of product was conducted and obtained with high yield. An efficient and practical methodology for the synthesis of (benzo)thiazoles-containing amides through pyridine-mediated acylation of 2‐amino(benzo)thiazoles under ultrasonic irradiation was developed. The short reaction time (within 1 min), good functional group tolerance, experimental simplicity and ease of scale-up were salient features of the present strategy, which enables straightforward access to the expected products with good to excellent yields. Additionally, further transformations of the resulting amides were also studied. An efficient and practical methodology for the synthesis of (benzo)thiazoles-containing amides through pyridine-mediated acylation of 2‐amino(benzo)thiazoles under ultrasonic irradiation was developed. The short reaction time (within 1 min), good functional group tolerance, experimental simplicity and ease of scale-up were salient features of the present strategy, which enables straightforward access to the expected products with good to excellent yields. Additionally, further transformations of the resulting amides were also studied. [Display omitted] [ABSTRACT FROM AUTHOR]

Over recent decades, enantioselective organocatalysis has garnered significant attention within the dominion of organic chemistry. This field offers the potential for intricate organic transformations with high stereoselectivity, employing small-molecule organic compounds as catalysts. Chiral primary β-amino alcohols and primary α-amino amides, which feature adjacent enamine (Brønsted base site) and hydrogen-bonding sites (Brønsted acid site), along with flexible bulky substituents to modulate steric factors, are highly valuable multifunctional organocatalysts. Their characteristics make them cost-effective alternatives, as they are easily synthesized, air-stable, and adaptable for introducing various functional groups and adjusting steric environments. Isatin derivatives, particularly 3-substituted-3-hydroxyindolin-2-ones, have garnered significant interest from both organic and medicinal chemists due to their presence in several natural products and drug candidates. Acknowledging the significance of straightforward organocatalysts and 3-substituted-3-hydroxyindolin-2-ones, this study reveals the catalytic efficiency of primary β-amino alcohols and primary α-amino amides in enantioselective reactions involving isatins to produce 3-substituted-3-hydroxyindolin-2-ones. [Display omitted] [ABSTRACT FROM AUTHOR]

Nitrogen-containing heterocycles are among the most significant as they are found in a wide range of pharmacologically active molecules. Lewis acids are regarded as crucial activation agents for a wide range of functional groups, including amides, carbonyls, alkenes, alkynes, alcohols, and so on. The research findings over the last ten years on the synthesis of N -heterocycles from propargyl–amines, homopropargyl– amines, and their derivatives catalyzed/mediated by Lewis acid are reviewed in this study. [Display omitted] [ABSTRACT FROM AUTHOR]

• Controlled plant-growth of hemp (cannabis) with the biostimulant molasses. • Growth with molasses increased the antioxidant capacity of hemp seeds. • Growth with molasses beneficially altered the hemp seed metabolite profile. • Molecular changes indicated induction of endogenous stress response in roots. • Demonstrated utility of biostimulants to improving hemp functional food value. Hemp is low-tetrahydrocannabinol (THC) Cannabis sativa that is cultivated globally for food and fibre. Hemp seeds and seed-oil are popularly consumed individually or utilised within cooking, due to their flavour, nutrition, and functional food benefits. The functional food properties of hemp seed include its beneficial fatty acid (FA) profile and antioxidant activity, which are associated with reduced inflammation that benefits chronic conditions including cardiovascular disease and cancer. Maximising these functional food properties can offer extensive health benefits. Biostimulants – such as molasses – are fertiliser additives that are associated with improvements to plant growth, yield, and biochemical composition; however, they have been scarcely applied to hemp. Furthermore, due to the complex composition of biostimulants, understanding their modes of action poses a significant challenge, impeding the optimization of their usage and the realization of associated benefits. Accordingly, this study aimed to characterise the impact of molasses on the functional food properties of hemp seeds and explore biostimulant-induced biochemical changes as indicators of modes of effect. Although molasses treatment did not significantly alter the FA profile (p = 0.960 for ω-6:ω-3 FA ratio), the antioxidant capacity (as measured by ABTS) was significantly increased (3.8-fold increase, p = 0.008). Metabolite profiling and statistical modelling indicated that this change was likely associated with increases in several lipophilic antioxidant metabolites, including hydroxycinnamic acid amides and cannabisins. Comparison of root, leaf, seed, and sugar leaf tissue changes in phytohormones and metabolites indicated that the growth of hemp with molasses was predominantly associated with the induction of the plant's endogenous stress response within the roots. These results indicate that the biostimulant molasses is a beneficial fertiliser additive for enhancing the functional food (antioxidant) potential of hemp seeds, thereby improving the health-benefits imparted to consumers. [ABSTRACT FROM AUTHOR]

The mucin-degrading gut commensal Akkermansia muciniphila (A. muciniphila) negatively correlates with various diseases, including metabolic disorders, neurodegenerative disorders, and cancers, through interacting with host receptors by diverse molecules. Still, their exact metabolic capability within the nutrient-rich environment (such as in the human gut) is not fully characterized. Therefore, in the present study, we investigated the comprehensive metabolome and lipidome of A. muciniphila after supplementation of four major gut microbial nutrients: mucin, inorganic salts, bile salts, and short-chain fatty acids (SCFAs). Our results showed that mucin is the predominant driver of the different lipidomic and metabolomic profiles of A. muciniphila , and it promotes the overall growth of this bacteria. While the addition of inorganic salts, bile salts, and SCFAs was found to inhibit the growth of A. muciniphila. Interestingly, inorganic salts affected the purine metabolism in A. muciniphila cultures, while adding bile salts significantly increased the production of other bile acids and N-acyl amides. Lastly, SCFAs were identified to alter the A. muciniphila energy utilization of triglycerides, fatty acyls, and phosphatidylethanolamines. To our knowledge, this is the first study to examine the comprehensive lipidome and metabolome of A. muciniphila , which highlights the importance of nutritional impacts on the lipidome and metabolome of A. muciniphila and hence providing foundational knowledge to unveil the potential effects of A. muciniphila on host health. Figure is created with BioRender.com. [Display omitted] • 305 metabolites and 270 lipids were detected in the culture of A. muciniphila using UHPLC-HRMS. • Mucin drives A. muciniphila's unique lipidomic and metabolomic profiles, promoting its growth. • The addition of inorganic salts, bile salts, and SCFAs was found to inhibit the growth of A. muciniphila. • Inorganic salts impact A. muciniphila's purine metabolism, and bile salts boost bile acid and N-acyl amide production. • SCFAs alter A. muciniphila's energy use of triglycerides, fatty acyls, and phosphatidylethanolamines. [ABSTRACT FROM AUTHOR]

[Display omitted] • Mild, clean and highly selective synthesis of amides under visible light and air as oxidants. • Inexpensive and readily available Mn 3 O 4 was used as a reusable photocatalyst. • Energy barrier for hemiaminal dehydrogenation is much lower than that of dehydration. • Mn 3 O 4 exhibited outstanding selectivity and efficiency in the synthesis of amides. Amides are widely used in various fields of chemical and pharmaceutical industries. Developing a green and universal amide synthesis method that meets the needs of sustainable chemistry has always been a challenge for amide synthesis. In this paper, a direct and highly selective method for the synthesis of amide was developed under visible light irradiation and room temperature using air as an oxidant. Thanks to the prolongation of the C-H bond (0.1115 nm) and O-H bond (0.1002 nm) during the adsorption of hemiaminal on the Mn 3 O 4 catalyst, and the energy barrier for hemiaminal dehydrogenation (-3.07 eV) is much lower than the energy barrier for dehydration (4.84 eV), thus the formation of imines is suppressed, resulting in highly selective clean production of amides with H 2 O as byproduct. Therefore, this clean and effective method for obtaining amides is one of the ideal alternative solutions for currently known methods. [ABSTRACT FROM AUTHOR]

Malaria continues to be a significant burden, particularly in Africa, which accounts for 95% of malaria deaths worldwide. Despite advances in malaria treatments, malaria eradication is hampered by insecticide and antimalarial drug resistance. Consequently, the need to discover new antimalarial lead compounds remains urgent. To help address this need, we evaluated the antiplasmodial activity of twenty-two amides and thioamides with pyridine cores and their non-pyridine analogues. Twelve of these compounds showed in vitro anti-proliferative activity against the intraerythrocytic stage of Plasmodium falciparum , the most virulent species of Plasmodium infecting humans. Thiopicolinamide 13i was found to possess submicromolar activity (IC 50 = 142 nM) and was >88-fold less active against a human cell line. The compound was equally effective against chloroquine-sensitive and -resistant parasites and did not inhibit β-hematin formation, pH regulation or Pf ATP4. Compound 13i may therefore possess a novel mechanism of action. [Display omitted] • Synthesis of 22 compounds including pyridine carboxamides, thioamides and their non-pyridine analogues. • Synthesized compounds were evaluated for antiplasmodial activity. • Salt formation and reduction of the pyridine ring increased antiplasmodial activity. • Thiopicolinamide 13i displayed potent antiplasmodial activity and low toxicity. • The mechanism of action of 13i is not due to inhibition of hemozoin formation. [ABSTRACT FROM AUTHOR]

Based on the theory of critical micelle, a Gemini type amide based ionic liquid system was developed to effectively extract Zr(IV) and Hf(IV) dispersed in an acidic chloride solution from the liquid phase into the organic phase through a coordination driven process. We focused on the effect of the reverse micelles formed during the extraction process of the extracted compound on the stability of the coordination system. The 'third phase' problem in the organic phase during the extraction process was analyzed from the perspective of molecular polarity. Thus, the strategy of Gemini amide ionic liquid applied to the extraction of metal ions in an acidic chloride system was improved. [Display omitted] • Based on the theory of critical micelle, Zr(IV) and Hf(IV) were extracted and separated by coordination-driven process. • The 'third phase' problem during the extraction process was analyzed from the perspective of molecular polarity. • The effect of reverse micelles formed by the extracted compounds on the stability of the coordination system was studied. [ABSTRACT FROM AUTHOR]

[Display omitted] • The enantioselective Michael addition of malonates with unsaturated ketones. • Catalyzed by samarium amide Sm[N(SiMe 3) 2 ] 3 together with the chiral phenoxy-functionalized amino alcohol proligands. • The products with good group tolerance, mostly in high to excellent yields (85–98%) and good to excellent ee values (50– >99%). • A possible mechanism was proposed. A combination of rare-earth metal amides RE[ N (SiMe 3) 2 ] 3 and chiral phenoxy-functionalized amino alcohol proligands was developed to realize the enantioselective Michael addition of malonates with unsaturated ketones. The reactions catalyzed by samarium amide Sm[ N (SiMe 3) 2 ] 3 were performed best together with the chiral proligand H 3 L1 (H 3 L1 = 2,4-di- tert -butyl-6-((((1 S ,2 R)-2-hydroxy-1,2-diphenylethyl) amino)methyl)phenol) in DCE with good group tolerance, mostly in high to excellent yields (85–98 %) and good to excellent ee values (50− >99 %). The possible mechanism was also proposed. [ABSTRACT FROM AUTHOR]

Nitroso chemistry has gained considerable interest in the fields of chemistry and biology over the past few decades. Over the years, synthetic methods to prepare a diverse range of N -nitrosamide derivatives using different nitrosating agents have been developed. Further, these nitrosamides have been utilized for the preparation of structurally significant compounds. [Display omitted] Nitroso chemistry has gained considerable interest in the fields of chemistry and biology over the past few decades. However, while N -nitrosamines and C -nitrosamines have been extensively studied, N -nitrosamides have received relatively less attention in the literature. In recent years, various synthetic chemists have developed dynamic synthetic approaches to prepare a diverse range of N -nitrosamide derivatives using different nitrosating agents. Further, these nitrosamides have been utilized for the preparation of structurally significant compounds such as amides, esters, thioesters, acids, alcohols, acyl hydrazides, glycouronamides, and heterocycles like indazole scaffolds through transamidation, esterification, thioesterification, reduction and aryne σ-insertion followed by C(sp3)–H bond functionalization strategy under suitable reaction conditions. Moreover, synthesis of other nitrosamides such as nitrosocarbamates, nitrosoureas and nitrososultams is also described. In this brief review, we highlight the progress in this field, focusing on the synthesis and applications of N -nitrosamides in various organic transformations. Moreover, the reaction mechanisms have also been included for the respective reactions. The contents of the review include the following subsections. [ABSTRACT FROM AUTHOR]

Linear biodegradable polyesters with a controlled number of side chains of amino groups have been synthesized. Such polyesters with a large number of amino side groups can be conjugated with a wide variety of functional molecules to obtain multi-functional biodegradable polyesters. In this study, poly(1,3-propylene- co -2-amino-1,3-propylene) adipate) (P(P- co -AP)A) was synthesized by enzymatic polymerization of divinyl adipate, 1,3-propanediol, and N-Boc-2-amino-1,3-propanediol (BocAPDO), and subsequent deprotection under strong acidic conditions. The mild reaction conditions and the specificity of the enzymatic polymerization could effectively inhibit side reactions, while the protecting groups of the monomers prevented polymer branching from the amino groups. It was found that the introduction rates of BocAPDO in the polymers could be well-controlled as the feeding rates changed from 0 to 100 mol%. After the deprotection and desalting, the ester groups in the main chain gradually converted into amide groups by intramolecular ester aminolysis at room temperature for a few days due to nucleophilic free amino groups. It was also found that the synthesized functional copolymers were all amorphous, since the random component of amino groups disrupted the crystallinity of poly(1,3-propylene adipate) (PPA). The glass transition temperature gradually increased with the increase in the content of 2-amino-1,3-propylene adipate (APA), eventually reaching −0.4 °C at the APA content of 100 mol% due to the intermolecular hydrogen bonding. Moreover, P(P- co -AP)A shows high hygroscopicity, where 3.9 wt% and 8.1 wt% of water were absorbed in the polymers with the APA contents of 50 and 100 mol%, respectively, when left in air at 60–70 % humidity for 6 h. Thus, the hydrophilicity dramatically improved with the increase in the APA content, eventually resulting in the acquisition of water solubility. The model post-polymerization modification using butyric acid was also conducted, and it was confirmed that carboxylic acids could be conjugated to the polymers by simple condensation reaction. Since polymerization of functional monomers is generally susceptible to the polarity of metal catalysts, the mild and selective reaction employed in this study could realize a higher content of various functional groups in the side chains of polyesters leading to a newly designed multi-functional polyester. [Display omitted] • Poly(1,3-propylene- co -2-amino-1,3-propylene) adipate) (P(P- co -AP)A), an aliphatic polyester with side chains of amino groups, was synthesized via enzymatic polymerization of N-protected monomers. • P(P- co -AP)A exhibited hydrophilicity and hygroscopicity, and poly(2-amino-1,3-propylene adipate) (PAPA) showed water solubility. • Carboxylic acids were introduced to the side chains of P(P- co -AP)A by post-polymerization modification through condensation reactions. • 2-amino-1,3-propylene adipate unit could cause intramolecular ester aminolysis, introducing amide bonds in main chains and free OH groups in side chains. [ABSTRACT FROM AUTHOR]

• Nine novel pyridinyl amide derivatives. • Amide location and spacer role critical for activity. • Compound 3 demonstrated good antiproliferative activity against K562 and HepG2 cells. • Molecular docking reveals targeted mechanism of action with bcr/abl tyrosine, EGFR, HER2. • Notable cancer cell selectivity over normal cells and low cytotoxicity towards HDFa. A novel series of secondary pyridinyl amides, reinforced with the methylsulfonyl pharmacophore unit, was designed and synthesized. Further, we determined the antiproliferative activities of these compounds through experimental assays and analyzed their interactions with Breakpoint Cluster Region/Abelson (bcr/abl), Epidermal Growth Factor Receptor (EGFR), and Human Epidermal Growth Factor Receptor 2 (HER2) tyrosine kinases using molecular autodocking techniques. We grouped these amides into three categories, classified by the type of spacer that binds the pyridine ring to the amide nitrogen atom. Additionally, within each group, we strategically positioned the amide moiety at the ortho, meta , or para position on the pyridyl ring. Among the studied amides, compound 3 exhibited the best overall antiproliferative activity against human immortalized myelogenous leukemia (K562) (IC 50 = 26 µM), human leukemia monocytic cell line (THP-1) (IC 50 = 81 µM), and human hepatocellular carcinoma (HepG2) (IC 50 = 210 µM). Molecular docking studies revealed that compound 3 binds effectively to bcr/abl, EGFR, and HER2 tyrosine kinases, demonstrating strong interactions with crucial active site amino acids, indicative of its targeted antiproliferative mechanism. All investigated compounds showed either very minor or no cytotoxicity against human dermal fibroblast adult cells. [Display omitted] [ABSTRACT FROM AUTHOR]

• A base free and efficient IMesCuCl/TBHP promoted oxidative amidation approach to get new 1,4-benzoxazinone-tetrazole-amides. • Compound 12g showed greater activity than the Erlotinib against MDA-MB-231 and MCF-7 cancer cell lines. • Compounds 12a and 12c showed greater activity than the Erlotinib against MCF-7. • Compound 12g showed comparable potency against tyrosine kinase EGFR with the Erlotinib. • Compounds 12a, 12c and 12g displayed better binding energies and inhibition constants on EGFR (PDB ID-4HJO) than the Erlotinib. • Most potent compound 12g was characterized by DFT studies. A base free and aqueous synthesis of some new 1,4-benzoxazinone-tetrazole containing amides via tert ‑butyl hydroperoxide (TBHP) mediated oxidative coupling of 2-(5-(2-(3-oxo-2,3-dihydro-4 H -benzo[ b ][1,4]oxazin-4-yl)ethyl)-2 H -tetrazol-2-yl)acetaldehyde (10) with anilines (11a-n) under (1,3-dimesityl-2,3-dihydro-1 H -imidazol-2-yl)copper(I) chloride (IMesCuCl) catalysis was reported herein for the first time. All these compounds (12a-n) were screened for their in vitro anti-breast cancer activity against two human breast cancer cell lines (MDA-MB-231 and MCF-7). Out of all, compound 12g showed greater activity than the Erlotinib on two cell lines with IC 50 values in the range of 4.12–7.03 μg/mL. As well, compounds 12a and 12c showed greater activity than the Erlotinib on MCF-7 with IC 50 values <4.5 μg/mL. The tyrosine kinase Epidermal Growth Factor Receptor (EGFR) inhibition studies revealed that compound 12g showed almost similar potency (IC 50 = 0.47 μM) with the Erlotinib (IC 50 = 0.41μM). Molecular docking studies revealed that compounds 12a, 12c and 12g showed encouraging binding energies and inhibition constants on EGFR (PDB ID-4HJO) than the Erlotinib. Finally, the most potent compound 12g was characterized by density functional theory (DFT) with B3LYP/6–311++ G (d, p) basis set. The structural parameters were obtained from geometry optimization. Molecular electrostatic potential (MEP) and highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy gap and Mulliken atomic charges were calculated. [Display omitted] [ABSTRACT FROM AUTHOR]

• A multidonor amidophosphine ligand was prepared using an alternative route. • The ligand reacts with group 10 metal dichloride precursors to produce P,N,N-chelate complexes. • Spontaneous HCl elimination occurs during the complexation. • Terminal chloride ligand can be replaced for a phosphine. • The complexes were fully characterized and possess similar molecular structures. The multidonor amidophosphine 2-Ph 2 PC 6 H 4 NHC(O)C 5 H 4 N, where C 5 H 4 N is a 2-pyridyl substituent, reacted with the synthetic equivalents of group 10 metal dichlorides, viz. [NiCl 2 (dme)], [PdCl 2 (MeCN) 2 ] or [PtCl 2 (cod)] (dme = 1,2-dimethoxyethane, cod = cycloocta-1,5-diene), to produce neutral bis-chelate complexes [MCl(Ph 2 PC 6 H 4 NC(O)C 5 H 4 N-κ3 P,N,N ′)] (M = Ni, Pd, and Pt). During the complexation reaction, spontaneous HCl elimination occurred, possibly as the result of overall structural stabilization by the deprotonation of the amide nitrogen, which is brought toward the metal centers by initial P,N(pyridine)-coordination of the amidophosphine ligand. Subsequent reaction of 3 as the representative with AgClO 4 and triphenylphosphine produced the cationic bis(phosphine) complex [Pd(PPh 3)(Ph 2 PC 6 H 4 NC(O)C 5 H 4 N-κ3 P,N,N ′)]ClO 4 (5), which converted back to parent chloride complex in the presence of chloride ions. All complexes were fully characterized using NMR and IR spectroscopy, mass spectrometry, and elemental analysis. X-ray diffraction analysis for 2, 3, 4 ·½ CH 2 Cl 2 and 5 ·Me 2 CO revealed that compounds 2 – 4 exhibit similar coordination geometry, which is rather marginally affected upon replacement of the chloride for a bulkier phosphine ligand. [Display omitted] [ABSTRACT FROM AUTHOR]

• A Multi-Technique Approach for 60 Plasticizers and selected additives in beverages. • Determination of analytes using GC- and LC-MS/MS including cross-validation. • Analysis of pooled beverage samples as part of the BfR Total Diet Study (MEAL). The development of multi-analyte methods is always challenging, especially when the target compounds derive from many different substance classes. We present an approach to analyze up to 60 additives – mainly plasticizer – including 28 phthalates and 32 further compounds such as sebacates, adipates, citrates, fatty acid amides, among others. Our multi-analyte multi-technique approach combines a single sample preparation step with one GC-MS/MS and two LC-MS/MS quantification methods. We demonstrate the applicability for beverages by a full validation in tomato juice matrix and determining the recoveries in apple juice, mulled wine, and spirits. The approach features good reproducibilities and high precisions with limits of quantification in the low µg·kg−1 food range, enabling the method to be applied for enforcement and especially for exposure investigations. In course of the BfR MEAL study, 16 pooled beverage samples were examined and - if at all - analytes were found only in very low concentrations. [ABSTRACT FROM AUTHOR]

Magnetic studies indicate a new paramagnetic bis(amido) complex, Nb[ N (Dipp) TMS ] 2 Cl 2 (Dipp = 2,6-diisopropylphenyl), displays slow frequency-dependent magnetization relaxation dynamics below ca. 25 K, under application of non-zero magnetic fields. The relaxation dynamics appear to proceed via a Raman pathway. [Display omitted] The preparation, structure, and magnetic properties of Nb[N(Dipp)TMS] 2 Cl 2 (1) are described. The paramagnetic complex is obtained via treatment of NbCl 4 (THF) 2 with two equivalents of Li[N(Dipp)TMS]. Magnetic studies indicate NbIV (S = ½) ions are present and that slow frequency-dependent magnetization relaxation dynamics are operative below ca. 25 K, under application of non-zero magnetic fields. The relaxation dynamics appear to proceed via a Raman pathway. [ABSTRACT FROM AUTHOR]

The prevention or control of bacterial infections requires continuous search for novel approaches among which bacterial quorum sensing inhibition is considered as a complementary antibacterial strategy. Quorum sensing, used by many different bacteria, functions through a cell-to-cell communication mechanism relying on chemical signals, referred to as autoinducers, such as N -acyl homoserine lactones (AHLs) which are the most common chemical signals in this system. Designing analogs of these autoinducers is one of the possible ways to interfere with quorum sensing. Since bioisosteres are powerful tools in medicinal chemistry, targeting analogs of AHLs or other signal molecules and mimics of known QS modulators built on amide bond bioisosteres is a relevant strategy in molecular design and synthetic routes. This review highlights the application of amide bond bioisosteric replacement in the design and synthesis of novel quorum sensing inhibitors. [Display omitted] • Design of Quorum sensing inhibitors by amide bioisosteric replacement. • Bacterial QS regulates the expression of some phenotypes, including virulence. • QS modulators offer solutions in antibacterial strategies. [ABSTRACT FROM AUTHOR]

• The catalyst shows excellent catalytic activity for oxidation of primary amines. • Mechanistic studies revealed the generation of nitrile as an intermediate. • The catalyst is very stable and can be used repeatedly without loss of activity. • No palladium leached from PdNPore during the oxidation reaction. An efficient and highly selective heterogeneous catalyst system for aerobic oxidation of primary amines was developed using unsupported palladium nanopores (PdNPore). A variety of aromatic, aliphatic, and heterocyclic primary amines were oxidized to the corresponding amides in satisfactory to excellent yields using ambient air as an oxidant. No palladium was leached from PdNPore during the oxidation reaction. The catalyst could be readily recovered and reused without a decrease in catalytic activity. The kinetic studies and control experiments demonstrated that nitrile acts as an intermediate, which undergo hydration to afford amide as the final product. The nanoporous palladium was a highly efficient heterogeneous catalyst for oxidation of primary amines using air as an oxidant. A variety of primary amides were oxidized to the corresponding amides in high yields with excellent selectivities. The catalyst is easily recovered and reused without leaching and loss of activity. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • Sustainable covalent adaptable networks are prepared by biomass-based resources. • Acyl azides react with acetoacetates to form dynamic amide bonds. • Covalent cross-linked elastomers exhibit thermal healability and recyclability. • The robust elastomers with adjustable properties are fully biodegraded in soil within 24 weeks. Developing sustainable, recyclable, and biodegradable elastomers with the mechanical properties comparable to commercial polymers presents a formidable challenge. To this end, we synthesize a kind of mechanically robust elastomers cross-linked by acetoacetyl formed amides (AFAs) through reacting biomass-based derivatives castor oil acetoacetates (ACO) and terephthaloyl diazides (TPD). Inspired by the transformation of acyl azides into isocyanates via Curtius rearrangement upon thermal treatment, we show for the first time that the reaction of acetoacetates and acyl azides could afford AFAs as well. The AFAs, which have been demonstrated dynamic in our previous works, impart excellent thermal recyclability and healability to the obtained elastomers. Upon controlling the content of AFAs, the mechanical properties and dielectric properties of the elastomers could be flexibly adjusted. Moreover, the elastomers exhibit notable biodegradability, degrading in soil within 24 weeks. We anticipate that this recyclable and biodegradable elastomer represents a promising alternative to its conventional, nonrecyclable polymer counterparts. [ABSTRACT FROM AUTHOR]