Clinical translation of nanomedicine with integrated digital medicine and machine learning interventions.

Nanomaterials based therapeutics transform the ways of disease prevention, diagnosis and treatment with increasing sophistications in nanotechnology at a breakneck pace, but very few could reach to the clinic due to inconsistencies in preclinical studies followed by regulatory hinderances. To tackle this, integrating the nanomedicine discovery with digital medicine provide technologies as tools of specific biological activity measurement. Hence, overcome the redundancies in nanomedicine discovery by the on-site data acquisition and analytics through integrating intelligent sensors and artificial intelligence (AI) or machine learning (ML). Integrated AI/ML wearable sensors directly gather clinically relevant biochemical information from the subject's body and process data for physicians to make right clinical decision(s) in a time and cost-effective way. This review summarizes insights and recommend the infusion of actionable big data computation enabled sensors in burgeoning field of nanomedicine at academia, research institutes, and pharmaceutical industries, with a potential of clinical translation. Furthermore, many blind spots are present in modern clinically relevant computation, one of which could prevent ML-guided low-cost new nanomedicine development from being successfully translated into the clinic was also discussed.

Surface crafting and entrapment of CsPbBr3 perovskite QDs in ZIF-8 for ammonia recognition.

The substantial optical features of perovskite quantum dots (PQD) lead to rapid growth in the investigation of their surface and lattice doping for optoelectronic and biochemical sensor advancements. Herein, we have used the surface ligand crafting model of PQD by ammonia and its optimum response to recognise ammonia in the sensing cellulose paper. The PQD with acetyl amine and octanoic acid capped were synthesized and entrapped in zeolites imidazole framework to delay the instant quenching and envisaged response to ammonia with high sensitivity. The hybrid perovskite quantum dots and Zeolite imidazolate framework-8 (PQD@ZIF-8) materials were further immersed in cellulose paper for solid-state sensor fabrication for the detection of ammonia by naked-eye and a Xiaomi Note-5 mobile camera. The ammonia was measured with high sensitivity at ambient conditions, with a detection limit of 16 ppm and a linear detection range of 1 to 500 ppm. This research provides a new platform for designing sensor selectivity and sensitivity, which could be used to further develop fluorescent nanomaterials-based sensors for small molecule detection.

Recent Progress in the Development of Organic Chemosensors for Formaldehyde Detection.

Formaldehyde has become a prominent topic of interest because of its simple molecular structure, release from various compounds in the near vicinity of humans, and associated hazards. Thus, several researchers designed sophisticated instrumentations for formaldehyde detection that exhibit real-time sensing properties and are cost-effective and portable with high detection limits. On these grounds, this review is centered on an analysis of optical chemosensors for formaldehyde that specifically fall under the broad spectrum of organic probes. In this case, this review discusses different organic functionalities, including amines, imines, aromatic pillar arenes, ß-ketoesters, and ß-diketones, taking part in various reaction mechanisms ranging from aza-Cope rearrangement and Schiff base and Hanztch reactions to aldimine condensation. In addition, this review distinguishes reaction mechanisms according to photophysical phenomena, that is, aggregation-induced emission, photoinduced electron transfer, and intramolecular charge transfer. Furthermore, it addresses the instrumentation involved in gas-based and liquid formaldehyde detection. Finally, it discusses the gaps in existing technologies followed by a succinct set of recommendations for future research.

Tailoring Ordered Porous Carbon Embedded with Cu Clusters for High-Energy and Long-Lasting Phosphorus Anode.

The natural insulating property and notorious pulverization of volume variation-induced materials during cycling pares the electrochemical activity of red phosphorous (RP) for lithium/sodium-ion batteries (LIBs/SIBs). To work out these issues, a tailored trimodal porous carbon support comprising highly ordered macropores and micro-mesoporous walls embedded with copper (Cu) nanoclusters (Cu-OMC) is proposed to confine RP. The construction of highly conductive copper-carbon wall facilitates fast electrons and ions transportation, while the interconnected and ordered porous structure not only creates enough space to resist the expansion effect of RP but also minimizes the ion diffusion length and enhances ion accessibility (the ion migration coefficient is ten times that of disordered porous carbon). Consequently, the resulting Cu-OMC@RP anode delivers a high reversible capacity (2498.7 mAh g-1 at 0.3 C for LIBs; 2454.2 mAh g-1 at 0.1 C for SIBs), superb rate properties (824.7 mAh g-1 at 10 C for LIBs; 774.2 mAh g-1 at 5 C for SIBs), and outstanding cycling stability (an ultralow decay rate of 0.057% per cycle after 1000 cycles at 10 C for LIBs and 0.048% per cycle at 5 C over 500 cycles for SIBs).

3D Ordered Porous Nanostructure Confers Fast Charge Transfer Rate and Reduces the Electrode Polarization in Thick Electrode.

Lithium batteries with high electrode thickness always possess a poor battery property due to electrode polarization along the thickness direction. Herein, a concept that the electrode polarization can be reduced through the fabrication of 3D ordered interconnected nanostructure in the electrode is put forward. A nitrogen-doped carbon photonic crystal (NCPC) with the ordered interconnected nanostructure is used in the electrode to prove the concept. NCPC can provide a fast charge transfer rate along the thickness direction and a uniform distribution for electrons and lithium ions, resulting in diminishing the concentration polarization and concentration gradient. When NCPC works for lithium-sulfur battery, the thick electrode achieves a fast charge transfer rate and a small voltage gap as well as the thin electrode. The 200 µm thick sulfur cathode obtains a specific capacity (87%) as high as 100 µm thick sulfur cathode. In contrast, the capacity ratio of the electrode made by the traditional coating method is only 45%.

Dendrite-Free and Ultra-Long-Life Lithium Metal Anode Enabled via a Three-Dimensional Ordered Porous Nanostructure.

Constructing a stable non-dendritic lithium metal anode is the key to the development of high-energy batteries in the future. Herein, we fabricated nitrogen-doped carbon photonic crystals in situ in the macropores of carbon papers as a porous skeleton and confined hosts for metallic lithium. The large specific surface area of the carbon photonic crystal reduces the current density of the electrode. The three-dimensional ordered microstructure promotes uniform charge distribution and uniform lithium deposition and inhibits the volume expansion of metallic lithium. The as-prepared lithium metal anode exhibits prominent electrochemical performance with a small hysteresis of less than 95 mV beyond 180 cycles at an extremely high current density of 15 mA cm-2. When the as-prepared lithium metal anode is coupled with the sulfur cathode, the obtained full cell displays enhanced capacitive properties and cycle life. Compared with the bare Li anode, the full cell exhibits more than 300 cycles of cell life and a 70 mA h g-1 higher discharge capacity.

Three-Dimensional Ordered Porous Nanostructures for Lithium-Selenium Battery Cathodes That Confer Superior Energy-Storage Performance.

Lithium-selenium (Li-Se) batteries suffer from the problems of polyselenides dissolution and volume expansion of active materials during the charge/discharge process. Moreover, the heavy atomic mass of selenium atoms limits the capacitive property of a Li-Se battery. Porous materials as the host for selenium particles reported by previous research studies are often disordered in pore structure and nonuniform in pore size. Herein, we report that a three-dimensional (3D) nitrogen-doped carbon photonic crystal (NCPC) with an ordered, interconnected structure was synthesized via a simple method to be the host of active materials. In addition, we prepared a Se-rich Se1-xSx by introducing a small amount of sulfur into a selenium ring to reduce the molecular mass but still keep the high electronic conductivity. As cathodes for a Li-Se battery, amorphous Se-rich Se1-xSx@NCPC composites exhibited high electrochemical performance with a specific capacity of 692 mA h g-1 at 0.1 Ag1-, an excellent rate capability of 526 mA h g-1 at 3 Ag1-, and an outstanding cycling property with an ultralow decay rate of 0.0132% per cycle at 0.6 Ag1- over 1000 cycles. Moreover, the pouch cell of Se1-xSx@NCPC composites also showed a good property with an energy of 253 Wh kg-1 at 0.1 Ag1- and an outstanding rate energy of 192 Wh kg-1 at 1.5 Ag1-, manifesting great potential in practical application.

Machine learning-integrated omics for the risk and safety assessment of nanomaterials.

With the advancement in nanotechnology, we are experiencing transformation in world order with deep insemination of nanoproducts from basic necessities to advanced electronics, health care products and medicines. Therefore, nanoproducts, however, can have negative side effects and must be strictly monitored to avoid negative outcomes. Future toxicity and safety challenges regarding nanomaterial incorporation into consumer products, including rapid addition of nanomaterials with diverse functionalities and attributes, highlight the limitations of traditional safety evaluation tools. Currently, artificial intelligence and machine learning algorithms are envisioned for enhancing and improving the nano-bio-interaction simulation and modeling, and they extend to the post-marketing surveillance of nanomaterials in the real world. Thus, hyphenation of machine learning with biology and nanomaterials could provide exclusive insights into the perturbations of delicate biological functions after integration with nanomaterials. In this review, we discuss the potential of combining integrative omics with machine learning in profiling nanomaterial safety and risk assessment and provide guidance for regulatory authorities as well.

Oxygen vacancy mediated single unit cell Bi2WO6 by Ti doping for ameliorated photocatalytic performance.

Crystal defects are crucially important in semiconductor photocatalysis. To improve the reactivity of photocatalysts and attain desirable solar energy conversion, crystal defect engineering has gained considerable attention in real catalysts. Herein, we engineered crystal defects and mediate oxygen vacancies in host Bi2WO6 crystal lattice via varying content of Ti dopant to fabricate single-unit-cell layered structure, resulting in enhanced visible-light-driven photocatalytic efficiency. Density functional theory (DFT) calculations verified that the substitution of Bi cation in the crystal structure of Bi2WO6 can induce a new defect level, and increase the density of states (DOS) at the valence band maximum, which not only improve the charge dynamic but also the electronic conductivity. Remarkably, the single-unit-cell layers Ti-doped Bi2WO6 structure casts profoundly improved photocatalytic performance towards ceftriaxone sodium degradation, Cr(VI) reduction, and particularly higher photocatalytic H2 production rate, with a 5.8-fold increase compared to bulk Bi2WO6. Furthermore, the photoelectrochemical measurements unveil that the significantly higher charge migration and charge carrier dynamic counts for the elevated photocatalytic performance. After careful examination of experimental results, it was proved that the Ti doping mediated crystal defects, and engendered oxygen vacancies are critically important for controlling the photocatalytic performance of Bi2WO6.

Graphene/graphitic carbon nitride decorated with AgBr to boost photoelectrochemical performance with enhanced catalytic ability.

A novel graphene nanoplatelets (GNP) bridge between two semiconductors (AgBr and graphitic carbon nitride) was created to boost photoelectrochemical performance. The heterojunction created makes the whole system a Z-scheme catalyst. For the construction of this catalyst, the syringe pump methodology was adopted and different analytical techniques were used for the confirmation of structure and morphology. High angle annular dark field (HAADF), dark field (DF), DF-4 and DF-2 techniques, using Z-contrast phenomena, confirmed the heterostructure (ABGCN) and its composition. The constructed structure showed an enhanced photoelectrochemical and catalytic property against 'acute toxicity category-III (MM)' and 'category-IV (tetracycline hydrochloride (TH))' organic pollutants. The constructed catalyst degraded the MM in 57 min and the TH in 35 min with degradation rates of 0.01489 min-1 and 0.02387 min-1, respectively, due to the accumulation of photogenerated electrons on the conduction band (CB) of g-C3N4 and photogenerated holes on the valence band (VB) of AgBr by the transformation of charges through the graphene bridge. An ion trapping study also revealed that ·O2 and h+ were the active species which actively participated in the photocatalytic reaction.

Efficient Bifunctional Catalytic Electrodes with Uniformly Distributed NiN2 Active Sites and Channels for Long-Lasting Rechargeable Zinc-Air Batteries.

Freestanding bifunctional electrodes with outstanding oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) properties are of great significance for zinc-air batteries, attributed to the avoided use of organic binder and strong adhesion with substrates. Herein, a strategy is developed to fabricate freestanding bifunctional electrodes from the predeposited nickel nanoparticles (Ni-NCNT) on carbon fiber paper. The steric effect of monodispersed SiO2 nanospheres limits the configuration of carbon atoms forming 3D interconnected nanotubes with uniformly distributed NiN2 active sites. The bifunctional electrodes (Ni-NCNT) demonstrate ideal ORR and OER properties. The zinc-air batteries assembled with Ni-NCNT directly exhibit extremely outstanding long term stability (2250 cycles with 10 mA cm-2 charge/discharge current density) along with high power density of 120 mV cm-2 and specific capacity of 834.1 mA h g-1 . This work provides a new view to optimize the distribution of active sites and the electrode structure.

Correction: Facile solvothermal synthesis of a high-efficiency CNNs/Ag/AgCl plasmonic photocatalyst.

Correction for 'Facile solvothermal synthesis of a high-efficiency CNNs/Ag/AgCl plasmonic photocatalyst' by Youliang Wang et al., Phys. Chem. Chem. Phys., 2016, DOI: .

Facile solvothermal synthesis of a high-efficiency CNNs/Ag/AgCl plasmonic photocatalyst.

A CNNs/Ag/AgCl (defined as CNAAC) plasmonic photocatalyst with efficient photocatalytic degradation ability was obtained by depositing Ag/AgCl nanoparticles on g-C3N4 nanosheets (CNNS). Methyl orange (MO) and rhodamine B (RhB) were selected to evaluate the photocatalytic degradation performance of the as-synthesized CNAAC plasmonic photocatalysts. Among all of the prepared CNAAC plasmonic photocatalysts, CNAAC4 showed the most efficient photocatalytic degradation performance under visible light. Recycling experiments were also performed to confirm the superior stability of CNAAC4. The synergistic effect between the surface plasmon resonance effect (SPR) of the Ag nanoparticles and the steady heterojunction of CNNs-Ag/AgCl may mainly contribute to the enhanced photocatalytic activity and high stability of CNAAC.

Propyl 2-(4-methyl-benzene-sulfonamido)-benzoate.

In the title compound, C(17)H(19)NO(4)S, the terminal ethyl group is disordered over two sets of sites, with refined site occupancies of 0.536 (7) and 0.464 (7). The dihedral angle between the two aromatic rings is 81.92 (12)°. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O and C-H⋯O hydrogen bonds, which generate S(6) motifs. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains along the b axis.

Cyano-methyl 4-(4-methyl-benzene-sulfonamido)-benzoate.

The title mol-ecule, C(16)H(14)N(2)O(4)S, adopts an L-shaped conformation, with the central C-S-N-C torsion angle being -69.1 (3)°. The two benzene rings form a dihedral angle of 89.94 (15)°. The mol-ecular conformation may be influenced by a weak intra-molecular C-H⋯O hydrogen bond which generates an S(6) ring motif. In the crystal, mol-ecules are linked by N-H⋯O and weak C-H⋯O hydrogen bonds, forming chains propagating along the b axis. Weak C-H⋯N hydrogen bonds connect the chains into a two-dimensional network parallel to (011). The crystal studied was an inversion twin, the ratio of components being 0.7 (1):0.3 (1).