We report here the synthesis of cyclic peptides using benzotriazolyloxy-bis(pyrrolidino)-carbonium hexafluoro- phosphate(BBC)as a coupling reagent with high yield and speed even in low concentration compared with the ...We report here the synthesis of cyclic peptides using benzotriazolyloxy-bis(pyrrolidino)-carbonium hexafluoro- phosphate(BBC)as a coupling reagent with high yield and speed even in low concentration compared with the other usual coupling reagents.展开更多
This paper reports the determination of stability constants for complexes of Cd(Ⅱ)with Gly, Ala,Val,Asp,Gly—Asp,Asp Gly,Gly—Gly and Gly—Gly—Gly using both micro—pH—metric titra- tions and the application of con...This paper reports the determination of stability constants for complexes of Cd(Ⅱ)with Gly, Ala,Val,Asp,Gly—Asp,Asp Gly,Gly—Gly and Gly—Gly—Gly using both micro—pH—metric titra- tions and the application of convolution—deconvolution cyclic voltammetry at 25℃ and I=0.10 mol· dm^(-3)(KNO_3).Stability constants were calculated from pH—metric data using the SUPERQUAD com- puter program and cyclic voltammograms were collected,stored and manipulated using the EG and G CONDECON 300 software.A considerably larger ligand:metal ratio(e,g.50:1)was possible using voltammetry.Evaluation of results from the two techniques suggests that stability constants for the species[CdL_2]and[CdL_3]are reliable when calculated fromvoltammetry while those for[CdL]are more reliable when determined by pH-metric titration.展开更多
From the ethanol extract of the roots of Brachystemma calycinum D. Don, a Chinese folk herb, four new minor cyclic peptides namely brachystemin A, B, C and D (1 - 4) have been isolated. Their structures were establish...From the ethanol extract of the roots of Brachystemma calycinum D. Don, a Chinese folk herb, four new minor cyclic peptides namely brachystemin A, B, C and D (1 - 4) have been isolated. Their structures were established as cyclo (Pro(1)-Phe-Leu-Ala(1)-Thr-Pro(2)-Ala(2)-Gly) (1), cyclo (Pro(1)-Ala-Phe-Trp-Asp-Pro(2)-Leu-Gly) (2), cyclo (Pro(1)-Ile-Gly-Pro(2)-Val-Ala(1)-Ala(2)-Tyr) (3) and cyclo ( Pro-OMet-Trp-Ile-Gly-Ala-Leu-Asp) (4) respectively by means of extensive spectral methods.展开更多
New cyclic peptides 1 and 2 were isolated from the endophytic fungus #2221 fromCastaniopsis fissa on the south China sea coast. By 2D NMR methods and chiral HPLC technique,their structures were elucidated as cyclo (L-...New cyclic peptides 1 and 2 were isolated from the endophytic fungus #2221 fromCastaniopsis fissa on the south China sea coast. By 2D NMR methods and chiral HPLC technique,their structures were elucidated as cyclo (L-Val-L-Leu-L-Val-L-Leu) and cyclo(L-Leu-L-Ala-L-Leu-L-Ala), respectively.展开更多
Chromatographic separation of the marine-derived bacterium Bacillus licheniformis resulted in the isolation of two new cyclic lipopeptides named ai-Cl6 surfactin （1） and ai-Cl4 surfactin （2）, together with iso-Cm5...Chromatographic separation of the marine-derived bacterium Bacillus licheniformis resulted in the isolation of two new cyclic lipopeptides named ai-Cl6 surfactin （1） and ai-Cl4 surfactin （2）, together with iso-Cm5 surfactin and iso-Cl6 surfactin. The structures of the new cyclic lipopeptides were determined through extensive spectroscopic analysis. The sequences of the amino acids in cyclic nucleus were established by the ESI-MS/MS fragmentation, which provided an efficient method to detect lipopeptides from bacterium extracts without senaration展开更多
Heterocycle-braced cyclic peptides have demonstrated enhanced metabolic stability,increased potency and selectivity.Here,we present a rapid synthesis method for constructing Trp(C7)-alkene(E)-crosslinked cyclic peptid...Heterocycle-braced cyclic peptides have demonstrated enhanced metabolic stability,increased potency and selectivity.Here,we present a rapid synthesis method for constructing Trp(C7)-alkene(E)-crosslinked cyclic peptides with potent anti-proliferative activities against cancer cells,through C-H alkenylation and macrolactamization.This report addresses critical challenges associated with the installation and removal of the directing group N-Piv,configuration selectivity of the olefin,and intramolecular cyclization.No-tably,this method exhibits mild reaction conditions,traceless removal of the directing group,and high configuration selectivity.展开更多
Objective:To find potential peptide inhibitors against the NS2B/NS3 protease of DENV which in turn,can inhibit the viral replication inside host cell.Methods:Cyclic peptides were designed having combination of positiv...Objective:To find potential peptide inhibitors against the NS2B/NS3 protease of DENV which in turn,can inhibit the viral replication inside host cell.Methods:Cyclic peptides were designed having combination of positively charged amino acids using ChemSketch software and were converted to 3D structures.DENV NS3 protein structure was retrieved from Protein Data Bank(PDB)using PDB Id:2FOM.DENV NS3 and cylic peptides were docked using MOE software after structural optimization.Results:Through molecular docking it was revealed that most of the peptides bound deeply in the binding pocket of DENV NS2B/NS3 protease an had interactions with catalytic triad.Peptide 2 successfully blocked the catalytic triad of NS2B/NS3 protease.Peptide 1,,4 and 6 also had potential interactions with active residues of the NS2B/NS3 protease while all other peptides were in close contact with the active sites of NS2B/NS3 protease thus,these peptides can serve as a potential drug candidate to stop viral replication.Conclusions:Thus.it can be concluded from the study that these peptides could serve as important inhibitors to inhibit the viral replication and need further in-vitro investigations to confirm their efficacy.展开更多
From Psammosilene tunicoides W. C. Wu et C. Y Wu, two cyclic octapeptides (namedpsammosilenins A and B) were isolated. Their structures were determined as cyclo(-Pro1-phe1-Pro2-Phe2-Phe3-Ala-Pro3-Leu-) and cyclo(-Pro...From Psammosilene tunicoides W. C. Wu et C. Y Wu, two cyclic octapeptides (namedpsammosilenins A and B) were isolated. Their structures were determined as cyclo(-Pro1-phe1-Pro2-Phe2-Phe3-Ala-Pro3-Leu-) and cyclo(-Pro1-Gly-Phe1-Val-Pro2-Phe2-Thr-Ile) by spectroscopicmethods.展开更多
The interaction between HIV-1 DNA and five cyclic peptides （CP1-CP5） was investigated using electrospray ionization mass spectrometry （ESI-MS）. It revealed that CP1 [c（Ala-Tyr-Leu-Ala-Gly）] and CP4 [c（Pro-D-Tyr...The interaction between HIV-1 DNA and five cyclic peptides （CP1-CP5） was investigated using electrospray ionization mass spectrometry （ESI-MS）. It revealed that CP1 [c（Ala-Tyr-Leu-Ala-Gly）] and CP4 [c（Pro-D-Tyr-Leu-D-Ala-Gly）] have the higher binding affinity with the duplex DNA among the five cyclic peptides.展开更多
P-113 is a fragment of natural occurring peptide Histatin 5 found in human saliva. This peptide exhibited broad spectrum of antibacterial and antifungal biological activities. In this study, bifunctional P-113 peptide...P-113 is a fragment of natural occurring peptide Histatin 5 found in human saliva. This peptide exhibited broad spectrum of antibacterial and antifungal biological activities. In this study, bifunctional P-113 peptides 2–5 were designed as Sortase A substrates and synthesized by solid support peptide synthesis,where the N-terminus were equipped with glycine and its analogues, and C-terminus were extended with LPETGGS, respectively. Under Sortase A catalyzed condition, head to tail cyclization products 7–10were afforded in yields from 76% to 93%. The conformation insights of linear peptides 2–5 and cyclic analogues 7–10 in aqueous buffers and in trifluroethanol（TFE） analyzed by circular dichroism（CD）suggested that a-helix structures were produced progressively in hydrophobic environment independent of the cyclization, which displayed the similar behavior as parent peptide P-113.展开更多
Fluorescent probes,with their superior optical properties and labeling versatility,have greatly advanced the visualization of intracellular molecules and subcellular structures.However,poor cytoplasmic delivery,caused...Fluorescent probes,with their superior optical properties and labeling versatility,have greatly advanced the visualization of intracellular molecules and subcellular structures.However,poor cytoplasmic delivery,caused by charge,size,or targeting groups,limits the effective use of many fluorescent probes in live cells.Recently,cell-penetrating peptides(CPPs)have emerged as efficient carriers,offering great potential for the cytoplasmic delivery of fluorescent probes in live cells.This review provides a comprehensive overview of CPPs as vehicles for probe delivery,outlining advances in their development,conjugation chemistries,and intracellular delivery mechanisms.Recent applications in live-cell imaging are highlighted and organized according to major CPP modification strategies,including sequence engineering,cyclization,hybrid design and enhancement by chemical reagents.Finally,the challenges that remain and the future outlook of this rapidly evolvingfield are discussed.展开更多
Large-scale geological energy storage plays a crucial role in balancing the intermittency of renewable energy.As an energy storage medium,soaked sandstone has a wide range of applications in geological energy storage....Large-scale geological energy storage plays a crucial role in balancing the intermittency of renewable energy.As an energy storage medium,soaked sandstone has a wide range of applications in geological energy storage.Understanding the damage characteristics in soaked sandstones is essential for ensuring the stability and longevity of these energy storage systems.This study involved multi-stage cyclic loading tests conducted on soaked sandstone to explore the damage evolution throughout the loading process.The findingsreveal several important insights:(1)The plastic hysteresis loops observed during multi-stage cyclic loading evolved from dense to sparse.An increase in stress level led to greater damage in the rock,as evidenced by an increase in accumulated peak/plastic strains.(2)Energy density and stress level are related by quadratic polynomial relationships.The elastic and dissipated energy densities are related by a linear law.The average energy storage coefficientdecreased by up to 24.1%with increasing stress amplitude,reflectingchanges in energy dynamics within the samples.(3)AE counts,amplitude,and frequency provided critical insights into rock damage and fracture patterns.The greater the loading rate and stress amplitude,the lower the proportion of high-amplitude,high-peak frequency,and shear-type fractures.Increasing stress amplitude caused a maximum 16.63%reduction in the AE bvalue,indicating shifts in fracture behavior under varying stress conditions.(4)The increase in loading rate and stress amplitude promotes the transformation of micropores and mesopores to macropores/microcracks.(5)Damage variables,definedin terms of cumulative dissipation energy,aligned closely with the fatigue damage model under multi-stage cyclic loading.Accelerated damage primarily occurred during the finalstages of fatigue loading,highlighting critical periods in the degradation of soaked sandstones.This study can offer guidance for designing operational parameters for energy storage geological bodies dominated by soaked sandstones.展开更多
During deep coal mining,an instability failure of coal usually occurs under the combined effect of initial damage and triaxial cyclic loading and unloading(TCLU).Therefore,this study investigated the impact of initial...During deep coal mining,an instability failure of coal usually occurs under the combined effect of initial damage and triaxial cyclic loading and unloading(TCLU).Therefore,this study investigated the impact of initial damage on mechanical behavior and acoustic emission(AE)characteristics of coal under TCLU.Initial damage variables(IDVs)of coal specimens were quantified using preloading,followed by TCLU experiments to assess the deformation,energy distribution,and fracture development.The results revealed that the increase in IDVs significantly reduced the structural integrity of coal specimens,increased the cumulative irreversible strain,and enhanced the dissipated energy owing to microfracture expansion.Moreover,AE monitoring showed earlier activation of fractures and a higher occurrence of large-scale rupture events of coal specimens with high IDVs,which correlated with decreasing AE b values(reflecting the different scales of fracture within specimens)and increasing S values(reflecting the AE activity within specimens).Additionally,computed tomography analysis revealed intensified fracture networks and increasing three-dimensional fractal dimensions of coal specimens with higher IDVs.Finally,the coupling effect of TCLU and initial damage on the weakening mechanism of coal was investigated.Initial damage significantly reduced the structural integrity of coal by increasing the number of weak planes within coal specimens,contributing to the earlier activation and rapid expansion of fractures at low stress levels under TCLU and eventually accelerating the weakening process of coal.This study provides a scientific basis and theoretical support for the prevention and control of dynamic disasters in deep coal mining.展开更多
Bicyclic peptides,a class of polypeptides with two loops within their structure,have emerged as powerful tools in the development of new peptide drugs.They have the potential to bind to challenged drug targets,with an...Bicyclic peptides,a class of polypeptides with two loops within their structure,have emerged as powerful tools in the development of new peptide drugs.They have the potential to bind to challenged drug targets,with antibody-like affinity and selectivity.Meanwhile,bicyclic peptides possess small molecule-like access to chemical synthesis,which is conducive to large-scale synthesis and screening.In the last five years,bicyclic peptide technology has been increasingly developed,and researchers have carried out a variety of studies to elucidate the potential functions of bicyclic peptides.With the continuous development of synthetic methods and the advances of new technology to build bicyclic peptide libraries,bicyclic peptides are now becoming widely used in the development of new drugs for various diseases.This perspective provides an overview of the structure types,synthesis and applications of bicyclic peptides in current drug development,and our own views on future challenges of bicyclic peptides.展开更多
Among various architectures of polymers,end-group-free rings have attracted growing interests due to their distinct physicochemical performances over the linear counterparts which are exemplified by reduced hydrodynam...Among various architectures of polymers,end-group-free rings have attracted growing interests due to their distinct physicochemical performances over the linear counterparts which are exemplified by reduced hydrodynamic size and slower degradation.It is key to develop facile methods to large-scale synthesis of polymer rings with tunable compositions and microstructures.Recent progresses in large-scale synthesis of polymer rings against single-chain dynamic nanoparticles,and the example applications in synchronous enhancing toughness and strength of polymer nanocomposites are summarized.Once there is the breakthrough in rational design and effective large-scale synthesis of polymer rings and their functional derivatives,a family of cyclic functional hybrids would be available,thus providing a new paradigm in developing polymer science and engineering.展开更多
Peptides play important roles in chemistry,medicinal chemistry and life science,due to their high efficiency and specificity,unusual biological and therapeutic properties.As naturally occurring peptides often face wit...Peptides play important roles in chemistry,medicinal chemistry and life science,due to their high efficiency and specificity,unusual biological and therapeutic properties.As naturally occurring peptides often face with their intrinsic limitations including metabolic instability and low membrane permeability,the strategies for synthesizing unnatural amino acids and peptides are explored.Among the methods for modifying amino acids and peptides,chemo-and site-selective approaches are preferred because of the ability to fine-tuning structural features.Recently,transition metal-catalyzed C–H activation has been employed for the functionalization of amino acids and peptides.Through domino C–H activation/annulation,a series of structurally complex and diverse amino acids and peptides is constructed.This review highlights recent advances in the synthesis of unnatural amino acids and peptides via transition metal-catalyzed C–H activation/annulation.展开更多
Cyclic olefin copolymers(COCs)are highly valuable optical resins,but their productions on industry are fully limited by the monomer norbornene.Although ethylene/dicyclopentadiene(E/DCPD)copolymers provide a cost-effec...Cyclic olefin copolymers(COCs)are highly valuable optical resins,but their productions on industry are fully limited by the monomer norbornene.Although ethylene/dicyclopentadiene(E/DCPD)copolymers provide a cost-effective alternative to commercially available COCs because of using low-cost DCPD as cyclic olefin monomer,these inherent unsaturated double bonds on E/DCPD copolymers cause low heat resistance,oxidation,and crosslinking during processing and storage.And E/DCPD copolymers usually showed lower glass-transition temperature(T_(g))compared with commercially available COCs.In this study,we studied the E-DCPD copolymerization catalyzed by a scandium complex and the sequential hydrogenation catalyzed by a nickel compound to prepare saturated copolymers H-(E/DCPD).The polymerization activities are high up to 5.86×10^(6)g/(molSc·h),and the resultant H-(E/DCPD)copolymers showed narrow polymer dispersity index(PDI=1.5–2.0).By changing the polymerization conditions,a series of H-(E/DCPD)copolymers with tunable DCPD incorporation(28.4 mol%–44.9 mol%)and a wide range of T_(g)(123–171°C)were obtained.H-(E/DCPD)copolymers exhibited excellent optical properties(transparency>90%,refractive index of 1.543),similar to those of commercial COCs,making them an alternative for high-performance optical applications.This method solves the problems of traditional E/DCPD copolymers and provides a practical way to produce stable and low-cost COCs,and is comparable with commercially available COC resins.展开更多
The escalating global crisis of antibiotic resistance necessitates urgent development of novel antimicrobial agents.In this context,antimicrobial peptides(AMPs)derived from fish emerge as a highly promising strategic ...The escalating global crisis of antibiotic resistance necessitates urgent development of novel antimicrobial agents.In this context,antimicrobial peptides(AMPs)derived from fish emerge as a highly promising strategic resource,owing to their unique structural diversity and the exceptional adaptability and tolerance conferred by evolutionary pressures in aquatic environments.This review systematically synthesizes key advances in fish-derived AMP research.It details their diverse sourcing avenues,encompassing tissues from live fish(e.g.,skin,mucus,gills,intestines)and processing byproducts(e.g.,scales,skins,viscera).The discussion covers efficient isolation,purification,and synthesis strategies,and critically examines their defining feature:unique multi-target synergistic antimicrobial mechanisms(including microbial membrane disruption,intracellular targeting,and immunomodulation),which contribute to a reduced propensity for resistance development.To address inherent limitations of natural AMPs(such as susceptibility to proteolysis and potential toxicity),the review highlights innovative optimization approaches,including computational-aided rational design,amino acid modification,cyclization,and hybrid peptide construction.Furthermore,the review elaborates on their significant application potential across crucial domains:food preservation(inhibiting spoilage organisms,extending shelf-life),sustainable aquaculture(as antibiotic alternatives,enhancing disease resistance,improving water quality),and the development of novel anti-infective therapeutics(particularly against drug-resistant infections).Therefore,this work aims to provide a comprehensive theoretical foundation and innovative strategic insights to foster in-depth research and the sustainable exploitation of this vital strategic biological resource.展开更多
In contrast to cyclic polymers with ring-like backbones,side-chain cyclization is another intriguing structural feature that has not been extensively studied.In this study,a library of orthogonally protected monomers ...In contrast to cyclic polymers with ring-like backbones,side-chain cyclization is another intriguing structural feature that has not been extensively studied.In this study,a library of orthogonally protected monomers featuring monocyclic,dicyclic,or tricyclic pendant motifs was designed and prepared based on malic acid derivatives.Polyesters with precise chemical structures and uniform chain lengths were prepared modularly through iterative growth.Meticulous control over the chemical details allows for a close investigation of the topological effects on the polymer properties.Compared to their linear side chain counterparts,the presence of cyclic pendant groups has a significant impact on chain conformation,leading to a reduction in hydrodynamic volume and an enhancement in the glass transition temperature.These results underscore the potential of tailoring polymer properties through rational engineering of side chain topology.展开更多
Drilling and blasting tunneling is a cyclic process in which tunnel rock undergoes repeated blast loading,affecting its dynamic characteristics,energy evolution,and damage progression.To explore the dynamic mechanical...Drilling and blasting tunneling is a cyclic process in which tunnel rock undergoes repeated blast loading,affecting its dynamic characteristics,energy evolution,and damage progression.To explore the dynamic mechanical properties and damage mechanisms of carbonaceous slate under cyclic impact loads of varying intensities,cyclic dynamic tests are conducted using a triaxial split Hopkinson pressure bar.This study analyzes the stress-strain relationship,energy damage evolution,and macro-to-micro failure characteristics.The results show that peak stress and strain are significantly influenced by impact intensity and the number of impacts.The initial dynamic stress is positively correlated with the impact intensity,but with more impact,the dynamic stress decreases while the peak strain increases.Energy evolution follows a pattern of"slow growthfluctuating growthrapid growth,"with the crack initiation stress and its proportion decreasing.CT and SEM analyses reveal that as the impact intensity increases,failure becomes more chaotic,the fracture volume increases,and the fracture mode shifts from interlayer and intergranular to through-layer and trans-granular fractures.These findings provide an experimental basis for soft rock tunnel stability analysis.展开更多
基金This work was supported by State Key Laboratory of Bio-organic and Natural products Chemistry.
文摘We report here the synthesis of cyclic peptides using benzotriazolyloxy-bis(pyrrolidino)-carbonium hexafluoro- phosphate(BBC)as a coupling reagent with high yield and speed even in low concentration compared with the other usual coupling reagents.
文摘This paper reports the determination of stability constants for complexes of Cd(Ⅱ)with Gly, Ala,Val,Asp,Gly—Asp,Asp Gly,Gly—Gly and Gly—Gly—Gly using both micro—pH—metric titra- tions and the application of convolution—deconvolution cyclic voltammetry at 25℃ and I=0.10 mol· dm^(-3)(KNO_3).Stability constants were calculated from pH—metric data using the SUPERQUAD com- puter program and cyclic voltammograms were collected,stored and manipulated using the EG and G CONDECON 300 software.A considerably larger ligand:metal ratio(e,g.50:1)was possible using voltammetry.Evaluation of results from the two techniques suggests that stability constants for the species[CdL_2]and[CdL_3]are reliable when calculated fromvoltammetry while those for[CdL]are more reliable when determined by pH-metric titration.
文摘From the ethanol extract of the roots of Brachystemma calycinum D. Don, a Chinese folk herb, four new minor cyclic peptides namely brachystemin A, B, C and D (1 - 4) have been isolated. Their structures were established as cyclo (Pro(1)-Phe-Leu-Ala(1)-Thr-Pro(2)-Ala(2)-Gly) (1), cyclo (Pro(1)-Ala-Phe-Trp-Asp-Pro(2)-Leu-Gly) (2), cyclo (Pro(1)-Ile-Gly-Pro(2)-Val-Ala(1)-Ala(2)-Tyr) (3) and cyclo ( Pro-OMet-Trp-Ile-Gly-Ala-Leu-Asp) (4) respectively by means of extensive spectral methods.
基金This work was supported by the National Natural Science Foundation of China(0072058)863 Foundation of China(2003AA624010)+2 种基金the National Natural Science Foundation of Guangdong Province,China(021732,2003A 3050401)a strategic grant at City University of Hong Kong(7000650)E.B.G.J.acknowledges the Royal Society,U.K.and City University of Hong Kong for the award of the Kan Tong Po Visiting Professorship.
文摘New cyclic peptides 1 and 2 were isolated from the endophytic fungus #2221 fromCastaniopsis fissa on the south China sea coast. By 2D NMR methods and chiral HPLC technique,their structures were elucidated as cyclo (L-Val-L-Leu-L-Val-L-Leu) and cyclo(L-Leu-L-Ala-L-Leu-L-Ala), respectively.
基金Grants from COMRA(Grant No.DY125-15-T-01 and SOA(Grant No.2010319123366025-4)National High Technology Development Project(863 Project,Grant No.2011AA10A202-2)National Key Technologies R&D Program(Grant No.2011BAE06B04)
文摘Chromatographic separation of the marine-derived bacterium Bacillus licheniformis resulted in the isolation of two new cyclic lipopeptides named ai-Cl6 surfactin （1） and ai-Cl4 surfactin （2）, together with iso-Cm5 surfactin and iso-Cl6 surfactin. The structures of the new cyclic lipopeptides were determined through extensive spectroscopic analysis. The sequences of the amino acids in cyclic nucleus were established by the ESI-MS/MS fragmentation, which provided an efficient method to detect lipopeptides from bacterium extracts without senaration
基金the National Key R&D Program of China(No.2022YFA1302900 to H.Liu)National Natural Science Foundation of China(Nos.82130105,22337003,82121005 to H.Liu+2 种基金and Nos.22177124,82322063 to J.Wang)Program of Shang-hai Academic Research Leader(No.23XD1460300 to J.Wang)the Lingang Laboratory(No.LG-GG-202204-02 to J.Wang)for supporting this work.We would like to acknowledge Shanghai Highline Therapeutics.
文摘Heterocycle-braced cyclic peptides have demonstrated enhanced metabolic stability,increased potency and selectivity.Here,we present a rapid synthesis method for constructing Trp(C7)-alkene(E)-crosslinked cyclic peptides with potent anti-proliferative activities against cancer cells,through C-H alkenylation and macrolactamization.This report addresses critical challenges associated with the installation and removal of the directing group N-Piv,configuration selectivity of the olefin,and intramolecular cyclization.No-tably,this method exhibits mild reaction conditions,traceless removal of the directing group,and high configuration selectivity.
文摘Objective:To find potential peptide inhibitors against the NS2B/NS3 protease of DENV which in turn,can inhibit the viral replication inside host cell.Methods:Cyclic peptides were designed having combination of positively charged amino acids using ChemSketch software and were converted to 3D structures.DENV NS3 protein structure was retrieved from Protein Data Bank(PDB)using PDB Id:2FOM.DENV NS3 and cylic peptides were docked using MOE software after structural optimization.Results:Through molecular docking it was revealed that most of the peptides bound deeply in the binding pocket of DENV NS2B/NS3 protease an had interactions with catalytic triad.Peptide 2 successfully blocked the catalytic triad of NS2B/NS3 protease.Peptide 1,,4 and 6 also had potential interactions with active residues of the NS2B/NS3 protease while all other peptides were in close contact with the active sites of NS2B/NS3 protease thus,these peptides can serve as a potential drug candidate to stop viral replication.Conclusions:Thus.it can be concluded from the study that these peptides could serve as important inhibitors to inhibit the viral replication and need further in-vitro investigations to confirm their efficacy.
文摘From Psammosilene tunicoides W. C. Wu et C. Y Wu, two cyclic octapeptides (namedpsammosilenins A and B) were isolated. Their structures were determined as cyclo(-Pro1-phe1-Pro2-Phe2-Phe3-Ala-Pro3-Leu-) and cyclo(-Pro1-Gly-Phe1-Val-Pro2-Phe2-Thr-Ile) by spectroscopicmethods.
基金Project supported by the Research Fund for the Doctoral Program of Higher Education.
文摘The interaction between HIV-1 DNA and five cyclic peptides （CP1-CP5） was investigated using electrospray ionization mass spectrometry （ESI-MS）. It revealed that CP1 [c（Ala-Tyr-Leu-Ala-Gly）] and CP4 [c（Pro-D-Tyr-Leu-D-Ala-Gly）] have the higher binding affinity with the duplex DNA among the five cyclic peptides.
基金supported by the National Natural Science Foundation of China(No.21472070)the Project for Jiangsu Scientific and Technological Innovation Team+2 种基金Fund for Jiangsu Distinguished Professorship ProgramProject Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions,the 111 Project(No.111-2-06)the Jiangsu province“Collaborative Innovation Center for Advanced Industrial Fermentation”industry development program
文摘P-113 is a fragment of natural occurring peptide Histatin 5 found in human saliva. This peptide exhibited broad spectrum of antibacterial and antifungal biological activities. In this study, bifunctional P-113 peptides 2–5 were designed as Sortase A substrates and synthesized by solid support peptide synthesis,where the N-terminus were equipped with glycine and its analogues, and C-terminus were extended with LPETGGS, respectively. Under Sortase A catalyzed condition, head to tail cyclization products 7–10were afforded in yields from 76% to 93%. The conformation insights of linear peptides 2–5 and cyclic analogues 7–10 in aqueous buffers and in trifluroethanol（TFE） analyzed by circular dichroism（CD）suggested that a-helix structures were produced progressively in hydrophobic environment independent of the cyclization, which displayed the similar behavior as parent peptide P-113.
基金supported by the following grants:National Natural Science Foundation of China(Grant Nos.92354305 and 32271428),National Key R&D Program of China(Grant No.2022YFC3401100)Young Talent Program of Hubei Provincial Health Commission(WJ2025Q037)+1 种基金Interdisciplinary Research Program of HUST(Grant No.2023JCY5045)Director Fund of WNLO.
文摘Fluorescent probes,with their superior optical properties and labeling versatility,have greatly advanced the visualization of intracellular molecules and subcellular structures.However,poor cytoplasmic delivery,caused by charge,size,or targeting groups,limits the effective use of many fluorescent probes in live cells.Recently,cell-penetrating peptides(CPPs)have emerged as efficient carriers,offering great potential for the cytoplasmic delivery of fluorescent probes in live cells.This review provides a comprehensive overview of CPPs as vehicles for probe delivery,outlining advances in their development,conjugation chemistries,and intracellular delivery mechanisms.Recent applications in live-cell imaging are highlighted and organized according to major CPP modification strategies,including sequence engineering,cyclization,hybrid design and enhancement by chemical reagents.Finally,the challenges that remain and the future outlook of this rapidly evolvingfield are discussed.
基金sponsored by National Natural Science Foundation of China(Grant Nos.U22B6003 and 52304070)Key Laboratory of Geomechanics and Geotechnical Engineering Safety,Chinese Academy of Sciences(Grant No.SKLGME-JBGS2404).
文摘Large-scale geological energy storage plays a crucial role in balancing the intermittency of renewable energy.As an energy storage medium,soaked sandstone has a wide range of applications in geological energy storage.Understanding the damage characteristics in soaked sandstones is essential for ensuring the stability and longevity of these energy storage systems.This study involved multi-stage cyclic loading tests conducted on soaked sandstone to explore the damage evolution throughout the loading process.The findingsreveal several important insights:(1)The plastic hysteresis loops observed during multi-stage cyclic loading evolved from dense to sparse.An increase in stress level led to greater damage in the rock,as evidenced by an increase in accumulated peak/plastic strains.(2)Energy density and stress level are related by quadratic polynomial relationships.The elastic and dissipated energy densities are related by a linear law.The average energy storage coefficientdecreased by up to 24.1%with increasing stress amplitude,reflectingchanges in energy dynamics within the samples.(3)AE counts,amplitude,and frequency provided critical insights into rock damage and fracture patterns.The greater the loading rate and stress amplitude,the lower the proportion of high-amplitude,high-peak frequency,and shear-type fractures.Increasing stress amplitude caused a maximum 16.63%reduction in the AE bvalue,indicating shifts in fracture behavior under varying stress conditions.(4)The increase in loading rate and stress amplitude promotes the transformation of micropores and mesopores to macropores/microcracks.(5)Damage variables,definedin terms of cumulative dissipation energy,aligned closely with the fatigue damage model under multi-stage cyclic loading.Accelerated damage primarily occurred during the finalstages of fatigue loading,highlighting critical periods in the degradation of soaked sandstones.This study can offer guidance for designing operational parameters for energy storage geological bodies dominated by soaked sandstones.
基金supported by the National Key R&D Program of China(Grant No.2022YFC3004704)the National Natural Science Foundation of China(Grant No.52174166)Graduate Research and Innovation Foundation of Chongqing,China(Grant No.CYB23031),which were gratefully acknowledged.
文摘During deep coal mining,an instability failure of coal usually occurs under the combined effect of initial damage and triaxial cyclic loading and unloading(TCLU).Therefore,this study investigated the impact of initial damage on mechanical behavior and acoustic emission(AE)characteristics of coal under TCLU.Initial damage variables(IDVs)of coal specimens were quantified using preloading,followed by TCLU experiments to assess the deformation,energy distribution,and fracture development.The results revealed that the increase in IDVs significantly reduced the structural integrity of coal specimens,increased the cumulative irreversible strain,and enhanced the dissipated energy owing to microfracture expansion.Moreover,AE monitoring showed earlier activation of fractures and a higher occurrence of large-scale rupture events of coal specimens with high IDVs,which correlated with decreasing AE b values(reflecting the different scales of fracture within specimens)and increasing S values(reflecting the AE activity within specimens).Additionally,computed tomography analysis revealed intensified fracture networks and increasing three-dimensional fractal dimensions of coal specimens with higher IDVs.Finally,the coupling effect of TCLU and initial damage on the weakening mechanism of coal was investigated.Initial damage significantly reduced the structural integrity of coal by increasing the number of weak planes within coal specimens,contributing to the earlier activation and rapid expansion of fractures at low stress levels under TCLU and eventually accelerating the weakening process of coal.This study provides a scientific basis and theoretical support for the prevention and control of dynamic disasters in deep coal mining.
文摘Bicyclic peptides,a class of polypeptides with two loops within their structure,have emerged as powerful tools in the development of new peptide drugs.They have the potential to bind to challenged drug targets,with antibody-like affinity and selectivity.Meanwhile,bicyclic peptides possess small molecule-like access to chemical synthesis,which is conducive to large-scale synthesis and screening.In the last five years,bicyclic peptide technology has been increasingly developed,and researchers have carried out a variety of studies to elucidate the potential functions of bicyclic peptides.With the continuous development of synthetic methods and the advances of new technology to build bicyclic peptide libraries,bicyclic peptides are now becoming widely used in the development of new drugs for various diseases.This perspective provides an overview of the structure types,synthesis and applications of bicyclic peptides in current drug development,and our own views on future challenges of bicyclic peptides.
基金Supported by the National Natural Science Foundation of China(Nos.52293472,22473096 and 22471164)。
文摘Among various architectures of polymers,end-group-free rings have attracted growing interests due to their distinct physicochemical performances over the linear counterparts which are exemplified by reduced hydrodynamic size and slower degradation.It is key to develop facile methods to large-scale synthesis of polymer rings with tunable compositions and microstructures.Recent progresses in large-scale synthesis of polymer rings against single-chain dynamic nanoparticles,and the example applications in synchronous enhancing toughness and strength of polymer nanocomposites are summarized.Once there is the breakthrough in rational design and effective large-scale synthesis of polymer rings and their functional derivatives,a family of cyclic functional hybrids would be available,thus providing a new paradigm in developing polymer science and engineering.
基金supported by the Natural Science Foundation of Jiangsu Province(No.BK20220409)the National Natural Science Foundation of China(No.22401153)+2 种基金the FWO[Fund for Scientific Research-Flanders(Belgium)]for financial support(recipient Erik V.Van der Eycken)the Research Council of the KU Leuven(recipient Erik V.Van der Eycken)the support of the"RUDN University Strategic Academic Leadership Program"(recipient Erik V.Van der Eycken).
文摘Peptides play important roles in chemistry,medicinal chemistry and life science,due to their high efficiency and specificity,unusual biological and therapeutic properties.As naturally occurring peptides often face with their intrinsic limitations including metabolic instability and low membrane permeability,the strategies for synthesizing unnatural amino acids and peptides are explored.Among the methods for modifying amino acids and peptides,chemo-and site-selective approaches are preferred because of the ability to fine-tuning structural features.Recently,transition metal-catalyzed C–H activation has been employed for the functionalization of amino acids and peptides.Through domino C–H activation/annulation,a series of structurally complex and diverse amino acids and peptides is constructed.This review highlights recent advances in the synthesis of unnatural amino acids and peptides via transition metal-catalyzed C–H activation/annulation.
基金supported by the National Natural Science Foundation of China(Nos.52273017 and 52273016)Strategic Priority Program of the Chinese Academy of Sciences(No.ZDRW-CN-2023-1)Natural Science Foundation of Jilin Province(No.SKL202302033).
文摘Cyclic olefin copolymers(COCs)are highly valuable optical resins,but their productions on industry are fully limited by the monomer norbornene.Although ethylene/dicyclopentadiene(E/DCPD)copolymers provide a cost-effective alternative to commercially available COCs because of using low-cost DCPD as cyclic olefin monomer,these inherent unsaturated double bonds on E/DCPD copolymers cause low heat resistance,oxidation,and crosslinking during processing and storage.And E/DCPD copolymers usually showed lower glass-transition temperature(T_(g))compared with commercially available COCs.In this study,we studied the E-DCPD copolymerization catalyzed by a scandium complex and the sequential hydrogenation catalyzed by a nickel compound to prepare saturated copolymers H-(E/DCPD).The polymerization activities are high up to 5.86×10^(6)g/(molSc·h),and the resultant H-(E/DCPD)copolymers showed narrow polymer dispersity index(PDI=1.5–2.0).By changing the polymerization conditions,a series of H-(E/DCPD)copolymers with tunable DCPD incorporation(28.4 mol%–44.9 mol%)and a wide range of T_(g)(123–171°C)were obtained.H-(E/DCPD)copolymers exhibited excellent optical properties(transparency>90%,refractive index of 1.543),similar to those of commercial COCs,making them an alternative for high-performance optical applications.This method solves the problems of traditional E/DCPD copolymers and provides a practical way to produce stable and low-cost COCs,and is comparable with commercially available COC resins.
文摘The escalating global crisis of antibiotic resistance necessitates urgent development of novel antimicrobial agents.In this context,antimicrobial peptides(AMPs)derived from fish emerge as a highly promising strategic resource,owing to their unique structural diversity and the exceptional adaptability and tolerance conferred by evolutionary pressures in aquatic environments.This review systematically synthesizes key advances in fish-derived AMP research.It details their diverse sourcing avenues,encompassing tissues from live fish(e.g.,skin,mucus,gills,intestines)and processing byproducts(e.g.,scales,skins,viscera).The discussion covers efficient isolation,purification,and synthesis strategies,and critically examines their defining feature:unique multi-target synergistic antimicrobial mechanisms(including microbial membrane disruption,intracellular targeting,and immunomodulation),which contribute to a reduced propensity for resistance development.To address inherent limitations of natural AMPs(such as susceptibility to proteolysis and potential toxicity),the review highlights innovative optimization approaches,including computational-aided rational design,amino acid modification,cyclization,and hybrid peptide construction.Furthermore,the review elaborates on their significant application potential across crucial domains:food preservation(inhibiting spoilage organisms,extending shelf-life),sustainable aquaculture(as antibiotic alternatives,enhancing disease resistance,improving water quality),and the development of novel anti-infective therapeutics(particularly against drug-resistant infections).Therefore,this work aims to provide a comprehensive theoretical foundation and innovative strategic insights to foster in-depth research and the sustainable exploitation of this vital strategic biological resource.
基金financially supported by the National Natural Science Foundation of China(No.22273026)Scientific Research Innovation Capability Support Project for Young Faculty(No.ZYGXQNJSKYCXNLZCXM-I15)+3 种基金Basic and Applied Basic Research Foundation of Guangdong Province(2024A1515012401)GJYC program of Guangzhou(No.2024D03J0002)the China Postdoctoral Science Foundation(No.2024M750938)Postdoctoral Fellowship Program of CPSF(No.GZC20240492)for their financial support。
文摘In contrast to cyclic polymers with ring-like backbones,side-chain cyclization is another intriguing structural feature that has not been extensively studied.In this study,a library of orthogonally protected monomers featuring monocyclic,dicyclic,or tricyclic pendant motifs was designed and prepared based on malic acid derivatives.Polyesters with precise chemical structures and uniform chain lengths were prepared modularly through iterative growth.Meticulous control over the chemical details allows for a close investigation of the topological effects on the polymer properties.Compared to their linear side chain counterparts,the presence of cyclic pendant groups has a significant impact on chain conformation,leading to a reduction in hydrodynamic volume and an enhancement in the glass transition temperature.These results underscore the potential of tailoring polymer properties through rational engineering of side chain topology.
基金support from the Joint Funds of the National Natural Science Foundation of China(Grant No.U23A2060)the National Natural Science Foundation of China(Grant Nos.42177143 and 52474150).
文摘Drilling and blasting tunneling is a cyclic process in which tunnel rock undergoes repeated blast loading,affecting its dynamic characteristics,energy evolution,and damage progression.To explore the dynamic mechanical properties and damage mechanisms of carbonaceous slate under cyclic impact loads of varying intensities,cyclic dynamic tests are conducted using a triaxial split Hopkinson pressure bar.This study analyzes the stress-strain relationship,energy damage evolution,and macro-to-micro failure characteristics.The results show that peak stress and strain are significantly influenced by impact intensity and the number of impacts.The initial dynamic stress is positively correlated with the impact intensity,but with more impact,the dynamic stress decreases while the peak strain increases.Energy evolution follows a pattern of"slow growthfluctuating growthrapid growth,"with the crack initiation stress and its proportion decreasing.CT and SEM analyses reveal that as the impact intensity increases,failure becomes more chaotic,the fracture volume increases,and the fracture mode shifts from interlayer and intergranular to through-layer and trans-granular fractures.These findings provide an experimental basis for soft rock tunnel stability analysis.
