Recently,nano-systems based on molecular communications via diffusion(MCvD)have been implemented in a variety of nanomedical applications,most notably in targeted drug delivery system(TDDS)scenarios.Furthermore,becaus...Recently,nano-systems based on molecular communications via diffusion(MCvD)have been implemented in a variety of nanomedical applications,most notably in targeted drug delivery system(TDDS)scenarios.Furthermore,because the MCvD is unreliable and there exists molecular noise and inter symbol interference(ISI),cooperative nano-relays can acquire the reliability for drug delivery to targeted diseased cells,especially if the separation distance between the nano transmitter and nano receiver is increased.In this work,we propose an approach for optimizing the performance of the nano system using cooperative molecular communications with a nano relay scheme,while accounting for blood flow effects in terms of drift velocity.The fractions of the molecular drug that should be allocated to the nano transmitter and nano relay positioning are computed using a collaborative optimization problem solved by theModified Central Force Optimization(MCFO)algorithm.Unlike the previous work,the probability of bit error is expressed in a closed-form expression.It is used as an objective function to determine the optimal velocity of the drug molecules and the detection threshold at the nano receiver.The simulation results show that the probability of bit error can be dramatically reduced by optimizing the drift velocity,detection threshold,location of the nano-relay in the proposed nano system,and molecular drug budget.展开更多
Biofunctionalized magnetite nanoparticles offer unique multifunctional capabilities that can drive nanomedical innovations.Designing synthetic bioorganic coatings and controlling their molecular behavior is crucial fo...Biofunctionalized magnetite nanoparticles offer unique multifunctional capabilities that can drive nanomedical innovations.Designing synthetic bioorganic coatings and controlling their molecular behavior is crucial for achieving superior performance.However,accurately describing the interactions between bio-inorganic nanosystem components requires reliable computational tools,with empirical force fields at their core.In this work,we integrate first-principles calculations with mainstream force fields to construct and simulate atomistic models of pristine and biofunctionalized magnetite nanoparticles with quantum mechanical accuracy.The practical implications of this approach are demonstrated through a case study of PEG(polyethylene glycol)-coated magnetite nanoparticles in physiological conditions,where we investigate how polymer chain length,in both heterogeneous and homogeneous coatings,impacts key functional properties in advanced nanosystem design.Our findings reveal that coating morphology controls polymer ordering,conformation,and polymer corona hydrogen bonding,highlighting the potential of this computational toolbox to advance next-generation magnetite-based nanosystems with enhanced performance in nanomedicine.展开更多
Biomarker-based early diagnosis of liver cancer is of high clinical value for reducing the mortality rate.However,it has been challenging to establish early detection methods with a single biomarker such as alpha-feto...Biomarker-based early diagnosis of liver cancer is of high clinical value for reducing the mortality rate.However,it has been challenging to establish early detection methods with a single biomarker such as alpha-fetoprotein(AFP)because of limited diagnostic sensitivity and specificity.Therefore,developing multiplexed biomarker detection assays is crucially important for early diagnosis.Yet,simultaneous detection methods involving three or more biomarkers have been scarce.Here we suggest employing the serological biomarker panel of glypican-3(GPC3),dickkopf-1(DKK1),and AFP for liver cancer detection.We present a rapid simultaneous detection approach for the biomarker panel labeled with three fluorescent quantum dot nanoprobes(emission wavelengths at 565 nm,605 nm,and 655 nm).As a proof-of-concept,simultaneous fluorescence detection of the biomarker panel was demonstrated using mixed reference samples containing human recombinant GPC3,DKK1,and AFP antigens.Our simultaneous detection approach conferred a linear range of 0.625–2.5 ng·mL^(-1)for the entire biomarker panel,which merits further clinical validation for the simultaneous and accurate determination of the biomarker panel in human serum samples.展开更多
基金the Researchers Supporting Project Number(RSP2023R 102)King Saud University,Riyadh,Saudi Arabia.
文摘Recently,nano-systems based on molecular communications via diffusion(MCvD)have been implemented in a variety of nanomedical applications,most notably in targeted drug delivery system(TDDS)scenarios.Furthermore,because the MCvD is unreliable and there exists molecular noise and inter symbol interference(ISI),cooperative nano-relays can acquire the reliability for drug delivery to targeted diseased cells,especially if the separation distance between the nano transmitter and nano receiver is increased.In this work,we propose an approach for optimizing the performance of the nano system using cooperative molecular communications with a nano relay scheme,while accounting for blood flow effects in terms of drift velocity.The fractions of the molecular drug that should be allocated to the nano transmitter and nano relay positioning are computed using a collaborative optimization problem solved by theModified Central Force Optimization(MCFO)algorithm.Unlike the previous work,the probability of bit error is expressed in a closed-form expression.It is used as an objective function to determine the optimal velocity of the drug molecules and the detection threshold at the nano receiver.The simulation results show that the probability of bit error can be dramatically reduced by optimizing the drift velocity,detection threshold,location of the nano-relay in the proposed nano system,and molecular drug budget.
基金funding from the European Union-NextGenerationEU through the Italian Ministry of University and Research under PNRR-M4C2-I1.3 Project PE 00000019"HEAL ITALIA"to Prof.Cristiana Di Valentin CUP H43C22000830006 of University of Milano Bicocca.
文摘Biofunctionalized magnetite nanoparticles offer unique multifunctional capabilities that can drive nanomedical innovations.Designing synthetic bioorganic coatings and controlling their molecular behavior is crucial for achieving superior performance.However,accurately describing the interactions between bio-inorganic nanosystem components requires reliable computational tools,with empirical force fields at their core.In this work,we integrate first-principles calculations with mainstream force fields to construct and simulate atomistic models of pristine and biofunctionalized magnetite nanoparticles with quantum mechanical accuracy.The practical implications of this approach are demonstrated through a case study of PEG(polyethylene glycol)-coated magnetite nanoparticles in physiological conditions,where we investigate how polymer chain length,in both heterogeneous and homogeneous coatings,impacts key functional properties in advanced nanosystem design.Our findings reveal that coating morphology controls polymer ordering,conformation,and polymer corona hydrogen bonding,highlighting the potential of this computational toolbox to advance next-generation magnetite-based nanosystems with enhanced performance in nanomedicine.
基金This work was supported by the National Natural Science Foundation of China(grant number 82073411)。
文摘Biomarker-based early diagnosis of liver cancer is of high clinical value for reducing the mortality rate.However,it has been challenging to establish early detection methods with a single biomarker such as alpha-fetoprotein(AFP)because of limited diagnostic sensitivity and specificity.Therefore,developing multiplexed biomarker detection assays is crucially important for early diagnosis.Yet,simultaneous detection methods involving three or more biomarkers have been scarce.Here we suggest employing the serological biomarker panel of glypican-3(GPC3),dickkopf-1(DKK1),and AFP for liver cancer detection.We present a rapid simultaneous detection approach for the biomarker panel labeled with three fluorescent quantum dot nanoprobes(emission wavelengths at 565 nm,605 nm,and 655 nm).As a proof-of-concept,simultaneous fluorescence detection of the biomarker panel was demonstrated using mixed reference samples containing human recombinant GPC3,DKK1,and AFP antigens.Our simultaneous detection approach conferred a linear range of 0.625–2.5 ng·mL^(-1)for the entire biomarker panel,which merits further clinical validation for the simultaneous and accurate determination of the biomarker panel in human serum samples.
