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[Display omitted] • Poor reproducibility of traditional measurements stem from particle packed state. • Desired packed state cannot got with good reproducibility via traditional method. • Particle packed state can obtained with good reproducibility via settling method. • Rules were proposed to unify the choice of settled state from different scholars. • Universal methodology based on particle settled state was successfully established. Physical properties of particles are of great significance either to their storage or handling. However, the traditional measurement of many properties (e.g., loosely-packed density, sphericity, angle of repose, minimum fluidization velocity, and segregation index) suffers from poor reproducibility, making the reported values seldom comparable and hindering development of various particle technologies. These measurements generally involve two independent steps: preparation of desired packed state of particles and specific measurement. From our perspective, the poor reproducibility arises from the first step: The desired packed state cannot be prepared with good reproducibility simply via traditional methods. This work found that many packed states of particles could be acquired with good reproducibility in fluidized beds combining the settling method, i.e., decreasing gas flow gradually from full fluidization to the target velocity. The subsequent measurement based on as-obtained settled state also exhibited excellent reproducibility. Moreover, the obtained settled state was observed to vary significantly with the settling rate. To make the measurement results comparable, benchmarks are required to unify selections of settled state among different scholars. One settled state, which first and foremost complied with common sense and property definition, was revealed to be unique enough to unify the choices. Eventually, the universal methodology of measuring properties for particles based on their settled state could be established. [ABSTRACT FROM AUTHOR]

[Display omitted] • A compromise volume fraction of the added magnetizable particles was 0.40. • Preferred magnetizable particles made admixture MFB within magnetic stabilization. • The more stable the obtained magnetic stabilization, the better the intensification. • Mass transfer intensification depended on hydrodynamics in resulting admixture MFB. This work aimed to explore the property effects of added magnetizable particles on the magnetic intensification of mass transfer between the fluidizing gas and Geldart-B nonmagnetizable particles. A compromise volume fraction (x vM) of magnetizable particles in the resulting binary admixture was 0.40 to transmit the stabilizing effect of magnetic field to the nonmagnetizable particles and save the bed volume. When x vM was maintained the same (=0.40), the added magnetizable particles had an optimal size/density to maximize the magnetic intensification. When the gas velocity was three times the minimum fluidization velocity of the nonmagnetizable particles, the optimum size and density ratios between the added magnetizable particles and the nonmagnetizable particles were 0.41 and 2.99, respectively. When the mass fraction was kept constant (=0.77), the lighter magnetizable particles were preferred to transmit the magnetic stabilization. The property effects of added magnetizable particles on the magnetic intensification of mass transfer depended on its effects on the hydrodynamics in the resulting admixture MFB. Provided the added magnetizable particles could make the obtained admixture MFB locate in the magnetic stabilization flow regime, the mass transfer could be significantly intensified. The more stable the obtained magnetic stabilization, the better the magnetic intensification of the mass transfer. [ABSTRACT FROM AUTHOR]

The magnetic field has been successfully used to intensify the liquid–solid contact performance in the fluidized bed, creating the magnetized fluidized bed (MFB). The MFBs with purely magnetizable particles and with the binary admixture of magnetizable and nonmagnetizable particles could be simply termed the pure MFB and admixture MFB, respectively. Their potential application in the chemical and biochemical industries has been thoroughly explored in the literature. However, a fundamental investigation on the hydrodynamics therein is far from sufficient, severely hindering the commercial application. For this reason, this review summarized the relevant findings, including (1) flow regime transition, (2) boundaries between two adjacent flow regimes, (3) unique features of the magnetically stabilized bed, (4) hysteresis phenomenon and bed voidage, (5) minimum fluidization velocity and terminal velocity, (6) numerical simulation and segregation of the admixture MFB, and (7) some explored applications. More importantly, the existing controversies and unsolved issues in this area were identified. Among others, the flow regime transition and unique hydrodynamic characteristics of each flow regime should be first clarified, only after which could the terminology describing all the flow regimes be unified and the results from different scholars be compared. [ABSTRACT FROM AUTHOR]

This work aimed to solve the controversies about defining and determining the minimum fluidization velocity (U mf) in the magnetized fluidized bed (MFB). It should be defined rigorously from the physics behind the secondary phenomena such as bed pressure drop and particle motion. Since U mf demarcates the transition from the fixed-bed to the fluidization flow regime, it could not be determined from the Δ P b – U g ↓ curve but could from the Δ P b – U g ↑ curve. Moreover, the initial fixed bed for measuring this curve must meet its definition. For the MFB with purely magnetizable particles, it could be obtained via decreasing U g gradually from full fluidization to zero at H = 0 kA/m to minimize the wedging effect. For the MFB with magnetizable and nonmagnetizable particles, such a decrease of U g should be quick to simultaneously minimize the wedging effect and segregation. The as-determined U mf remained invariant with H in both types of MFBs. [Display omitted] • Minimum fluidization should be defined from physics behind observed phenomena. • Δ P b – U g ↓ curve cannot be used to determine minimum fluidization velocity (U mf). • U mf can be identified from Δ P b – U g ↑ curve with initial fixed bed obtained carefully. • The as-determined U mf remained invariant as magnetic field intensity increased. • U mf0 in conventional fluidized beds should also be determined from Δ P b – U g ↑ curve. [ABSTRACT FROM AUTHOR]

Magnetic fields were used to successfully improve the fluidization quality of magnetizable particles, forming the magnetized fluidized bed (MFB). Moreover, researchers found that the binary admixture of magnetizable and nonmagnetizable particles could also be used in the MFB, creating the admixture MFB. Consequently, the MFB technique is no longer restricted to the few magnetizable particles in nature and can be extended to numerous nonmagnetizable particles. Nevertheless, research on the admixture of MFB is far from sufficient, severely hindering its commercial application in the chemical and biochemical industries. To deepen our understanding in this area, this review summarizes the relevant findings, which mainly include (1) transport phenomena in the gas-solid admixture MFB with Geldart B particles; (2) elimination of the abnormal fluidization phenomena in the gas-solid admixture MFB with Geldart C particles; (3) flow regime transition of the liquid-solid admixture MFB under both the magnetization-FIRST and magnetization-LAST operation modes; and (4) application of the pure MFB in the fields of gas filtration and coal dry separation. Finally, critical comments are made on the shortcomings of the reported research with the hope that more efforts could be devoted to these aspects in the future. [ABSTRACT FROM AUTHOR]

The spherical and dense Li[Ni 1 − x − y Co x Mn y ]O 2 particles work excellently as the cathode material for Li-ion secondary batteries. The key to their preparation lies in synthesizing the spherical and dense Ni 1 − x − y Co x Mn y (OH) 2 precursor via co-precipitation in a mechanically stirred tank reactor. The effect of impeller type on the precursor property was investigated by taking Ni 0 · 6 Co 0 · 2 Mn 0 · 2 (OH) 2 as an example. Four different types of impellers were tested and compared, which were the propeller turbine (PT), pitched blade turbine (PBT), flat blade turbine (FBT) and Rushton turbine (RT). Only with the PT could the spherical and dense precursor be prepared, whose tap density exceeded 2.0 g/mL. As expected, the LiNi 0 · 6 Co 0 · 2 Mn 0 · 2 O 2 obtained in this case exhibited the best electrochemical property, which delivered a discharge capacity of 182.3 mAh/g at 0.2C rate between 2.7 and 4.3 V. The capacity retention was 97.9% after 200 cycles at 2C rate. The different properties of the precursors resulted from the different flow fields in the reactor. The single-loop flow field excited by the PT caused the nuclei to grow into flat and thick flaky primary particles, which then could assemble tightly to form the dense secondary particles. Additionally, the circulation of secondary particles in the whole reactor further enabled them to grow, consolidate, become spherical and smooth by adsorbing the free nuclei and primary particles. On the other hand, the double-loop flow field generated by the FBT or RT caused the primary particles to be thin and curve, which could only pile up loosely to form the secondary particles. What's worse, the secondary particles were entrapped in the lower loop, having little chance to grow and consolidate by adsorbing the nuclei and primary particles that were mainly formed in the upper loop. Image 1098430 • Effect of impeller type on property of Ni1−x−yCoxMny(OH)2 was investigated. • Axial flow impeller produced large, spherical and dense precursor particles. • Radial flow impeller produced small, loose and irregular precursor particles. • Flow field affected nuclei formation and growth up into primary particles. • Circulation of secondary particles essential for their growth and consolidation. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Flow regime transition was compared between magnetization-FIRST and -LAST modes. • Magnetic stabilization state did no longer exist under magnetization-LAST mode. • Magnetic stabilization was a metastable equilibrium state. • Difficulty in forming a new phase resulted in forming magnetic stabilization state. Abstract Different flow regimes existed for the magnetized fluidized bed with purely Geldart-B magnetizable particles (pure MFB) or their admixture with Geldart-B nonmagnetizable particles (admixture MFB). Several unresolved issues about the flow regime transition were addressed first for both the pure and admixture MFBs. Then the flow regime transition was thoroughly compared for the first time between the magnetization-FIRST and -LAST operation modes. The magnetic stabilization flow regime was observed to no longer exist under the magnetization-LAST operation mode. The comparison further indicated that the operating range covered in the literature and this work could be roughly divided into four zones. Particularly in operating zone II, the MFB state was found to depend not only on the magnetic field intensity and superficial gas velocity but also on the operation mode. Such a dependence feature in essence referred to the dependence of the MFB state on the path taken to achieve it. The reason why the bed state was path-dependent in operating zone II lay in that the MFB therein could have two different equilibrium states and different paths led to the two states, respectively. Of the two equilibrium states, the magnetic stabilization was demonstrated to be a metastable equilibrium state. Such unique characteristics of the magnetic stabilization state explained why it could not be obtained under the magnetization-LAST operation mode. Furthermore, the reason why the MFB could have an additional metastable equilibrium state aside from the stable equilibrium state in operating zone II lay in the difficulty in forming a new phase under the magnetization-FIRST operation mode. [ABSTRACT FROM AUTHOR]

[Display omitted] • Key to accurate measuring segregation lies in acquiring stable fluidization state. • Two methods to obtain stable fluidization state for binary particles were compared. • The second method had greater applicability to obtain stable fluidization state. • Difficulty in obtaining stable fluidization state resulted from internal friction. • Binary particles could be polymorphic in state at U g ranging from U mfF to U mfJ. Co-fluidization of two types of particles is commonly encountered in the chemical and energy industry. A deep understanding of segregation between them is of great significance. The accurate measurement of segregation for any gas velocity (U g) from the experimental perspective is the first and critical step. The key lies in acquiring the stable fluidization state that could represent the given U g. Two distinct methods were thoroughly compared in this work. The first was decreasing gas flow quickly from high values to the target U g and keeping fluidization therein for sufficient time. The second was reducing gas flow very slowly from high values to the target U g. The apparent minimum fluidization velocity of the binary particles was denoted as U mfa whereas the minimum fluidization velocities of flotsam and jetsam were represented by U mfF and U mfJ. When U g was greater than U mfJ , the corresponding stable fluidization state could be easily reached via either method. Yet, it could only be acquired via the second method for U g ∈(U mfa , U mfJ). For U g ∈(U mfF , U mfa), neither method was feasible. The difficulty in acquiring the stable fluidization state for U g < U mfJ resulted eventually from the internal friction among the particles, due to which the de-fluidization of some jetsam particles could deprive the capability of many other particles to move and hinder their migration to the stable equilibrium positions. The macroscopic state of binary particles at U g ∈(U mfF , U mfJ) was further found to depend also on the path taken to reach it; binary particles therein could have different equilibrium states (being polymorphic); the final fluidization state acquired via the first method was demonstrated to be metastable. The stable fluidization state of binary particles at U g ∈(U mfF , U mfa) was too complicated to describe; convincing methods for acquiring it and determining the true extent of segregation are of urgent need; the second method was still effective in approaching the so-called stable fluidization state. [ABSTRACT FROM AUTHOR]

[Display omitted] • New method based on magnetic permeability was established to measure segregation. • Sampling of particles from settled bed and subsequent separation could be avoided. • S - U g curves determined as per new/traditional methods coincided with each other. • Key to measuring S for a U g lay in getting corresponding stable fluidization state. • Stable fluidization state can be obtained via reducing gas flow slowly to given U g. Co-fluidization of two types of particles is frequently encountered in the chemical and energy industry. The segregation behavior between them is of great importance. The accurate determination of segregation index (S) for any gas velocity (U g) from the experimental perspective is the first and critical step towards the deep understanding of such segregation. As for the fluidized bed with magnetizable and nonmagnetizable particles, a new method resting on the quick measurement of magnetic permeability in the corresponding settled bed was established to ease the measurement of S. The S - U g relationship measured via this method almost coincided with that determined traditionally, demonstrating its rationality and good feasibility. This new method avoided the sampling of particles from the settled bed and subsequent separation of the two types of particles, thus eliminating many problems concerned in these two steps and being more efficient. The only caveat was that the relationship between S and magnetic flux density in the settled bed had to be calibrated first. Additionally, the obtainment of the settled bed that could represent the given U g was found to be critical to the accurate measurement of S. The key lay in acquiring the stable and representative fluidization state, which was recommended to obtain via decreasing the gas flow from high values to the target U g with a rate smaller than 1.23 × 10−4 m/s2. The slow decrease of U g could leave the particles sufficient time to migrate to their stable equilibrium positions, which was usually hindered by the internal friction among themselves. [ABSTRACT FROM AUTHOR]

When Geldart-B magnetizable particles are fluidized under the simultaneous influence of the gravitational field and the magnetic field, there appear several flow regimes with different hydrodynamic behaviors. The present study focused on the hydrodynamics in the magnetized fluidized bed (MFB) flow regime. The applied magnetic field was axial, uniform, and steady; with Geldart-B iron particles as bed material experiments were conducted in both 2D and 3D beds. According to the gas–solid flow hydrodynamics, the MFB flow regime could be further divided into two distinguishable sub-regimes: magnetized-bubbling regime and channel-bubbling regime. In the channel-bubbling sub-regime, fluidization quality deteriorated due to the channel formation. In the magnetized-bubbling sub-regime, bubble sizes decreased while bubble frequency increased with increasing magnetic field intensities; fluidization quality was gradually improved. Meanwhile, bubbles were severely suppressed in the lateral direction, causing the change in bubble shape from nearly round to elliptic. Several reasons for both bubble size reduction and bubble shape change were analyzed. In addition, a new operational phase diagram was drawn to provide a panoramic view of the fluidization behaviors of Geldart-B magnetizable particles under the action of uniform magnetic fields. [ABSTRACT FROM AUTHOR]

The internal friction among unfluidized particles makes them polymorphic, thus confusing measurements of minimum fluidization velocity (Umf) and segregation index (S). Such a polymorphic characteristic of the packed bed caused the ΔPb–Ug↑ curve measured subsequently to be poorly reproducible. The poor reproducibility of determining Umf from this curve resulted eventually from the ambiguity in the traditional definition of Umf. It did not clearly indicate which of the many states the particles should be initially packed into before measuring the ΔPb–Ug↑ curve. The internal friction caused it difficult to accurately measure S for low gas velocities. The corresponding stable fluidization states could not be obtained through reducing the gas flow slowly from complete fluidization to these velocities. Some particles lost the capability to move before reaching their stable equilibrium positions. Only some steady states which could not represent the given Ug were obtained. Many states of the unfluidized particles were demonstrated to be metastable and belong to the amorphous/glass state. They could not recover/restore themselves after relatively large perturbations. [ABSTRACT FROM AUTHOR]

Describes a pipelined implementation of the least mean square (LMS) adaptive finite-impulse response (FIR) filter. Demonstration of a transpose-form architecture that computes the correction term used to calculate the delayless LMS error signal from the delayed error LMS error signal; Conclusions.

• Bed states obtained under four typical operation modes were compared for the MFB. • MFB state depended also on operation mode within certain operating zones. • In these zones MFB could have different states at the same operating condition. • Internal friction inside the bed caused MFB to be polymorphic in these zones. • Many of these bed states were demonstrated to be amorphous and metastable. There exist four typical modes to operate the magnetized fluidized bed (MFB) reactor: magnetization-FIRST, de-fluidization, magnetization-LAST, and de-magnetization. This work aimed to compare the bed states obtained under these operation modes for both the MFB with purely magnetizable particles and the MFB with the binary admixture of magnetizable and nonmagnetizable particles. It was found that the covered operating range could be divided into four zones. Particularly in zones I to III, the bed state depended not only on the magnetic field intensity (H) and superficial gas velocity (U g) but also on the operation mode, i.e., the bed state was a path function. Such a path-dependence feature resulted from that the MFB therein could have different equilibrium states at the same H and U g. From our perspective, such a polymorphic characteristic was caused by the internal friction inside the bed. Furthermore, many of these bed states were demonstrated to be metastable. The metastable states in zones II and III behaved like the metastates of water. They evolved directly and quickly into the corresponding stable states after relatively large perturbations. The metastable states in zone I behaved like the amorphous/glass state. They resided at another metastable state during the evolution towards the stable state after relatively large perturbations. In zone I, the metastable states formed from the sharp increase of internal friction with decreasing U g. The particles lost the ability to move before reaching the stable positions and were entrapped at the intermediate and metastable positions. [ABSTRACT FROM AUTHOR]

When the fluidizing agent is given, the minimum fluidization velocity (Umf) of particles is generally reckoned to be the sole function of their physical properties. However, Umf determined as per its original definition was found to depend also on how the particles were packed before the experimental measurement, causing the well-known poor reproducibility and difficulty in comparing the Umf reported by different scholars. The original definition of Umf neglected the polymorphism of packed particles and did not clearly indicate which of the many states the particles should be packed into before the experimental measurement. To solve this problem, this work proposed a precise definition for Umf by specifying the initial packing of particles: Umf characterizes the state transition of particles from "free" packed to fluidized. Such a definition could endow Umf with a clear physical meaning and a definite value. However, as for mixed particles, no precise and realizable definition for apparent Umf could be proposed yet. The difficulty lies in specifying a reproducible packed state as the starting point for the experimental measurement, which, first and foremost, should have good mixing. Under such circumstances, a compromise method was proposed to improve the reproducibility of measuring Umf as per its preliminary definition. [ABSTRACT FROM AUTHOR]

Fangji Huangqi Decoction (FHD) is a classical Chinese compound formula for treating rheumatoid arthritis (RA) with satisfactory effects. FHD is reputed for its ability to tonify qi with strengthening exterior, and dispel wind while removing dampness, but its mechanisms and bioactive compounds for treating RA remain unclear. The aim of this study was to explore the key target and bioactive compounds that were responsible for FHD-mediated improvements in RA. Using network pharmacology, we discovered that cyclooxygenase-2 (COX-2) was the key target of FHD against RA. We utilized a ligand fishing technique with COX-2 immobilized magnetic beads to recognize the bioactive components that act on COX-2. Then we carried out an in vitro assay of COX-2 enzyme inhibition and in vivo assay of carrageenan-induced inflammation and collagen-induced arthritis (CIA) to validate the bioactive effects of these captured ingredients. In the CIA assay, micro-CT, hematoxylin‒eosin staining and safranin-O/fast green staining were employed to assess the influence of the captured ligand on bone damage, pathological injury and cartilage destruction, respectively. Immunohistochemistry (IHC) and enzyme-linked immunosorbent assays (ELISAs) were used to detect the expression of COX-2 target in the ankle joint. interleukin-6 (IL-6) levels in the serum were also detected by ELISA. Molecular docking was used to reveal the binding mechanism of the COX-2 protein and the captured ligand. Eleven ligands, including tetrandrine, fangchinoline, cyclanoline, licochalcone B, ononin, calycosin and liquiritin, were specifically bound to the COX-2 protein, as determined by ultrahigh-performance liquid chromatography–mass spectrometry (UPLC–MS), seven of which were present at high levels. One ligand, tetrandrine, not only had a great inhibitory effect on COX-2 enzyme activity but also significantly reduced carrageenan-induced inflammation. In the CIA assay, middle- and high-dose tetrandrine (25 and 50 mg/kg) had effects comparable to those of FHD and celecoxib on ameliorating RA symptoms in CIA mice via the COX-2 target. Furthermore, compared with the low-dose tetrandrine group (12.5 mg/kg), the FHD group exhibited significantly lower arthritis index scores and serum IL-6 expression, although the content of tetrandrine in FHD extract solution was approximately 0.1% of that in the low-dose tetrandrine group. Hence, we inferred that tetrandrine was the main bioactive component responsible for the effects of FHD against RA by suppressing the expression of the COX-2 protein and inhibiting the enzyme catalytic activity of COX-2. The reason for these effects may be that tetrandrine can interact with the residue Tyr385 of COX-2, the enzymatic catalytic site of COX-2 to transform arachidonic acid (AA) to prostaglandin E2 (PGE2), and thereby reduce the production of prostaglandins and inflammatory metabolites. Moreover, in addition to tetrandrine, FHD contains other compounds that could supplement the activity of tetrandrine when FHD was used to treat RA, which is manifested the "multi-component" characteristic of how Traditional Chinese Medicine formulas treat diseases. Tetrandrine was discovered as a specific ligand of COX-2 through a magnetic separation ligand fishing technique from Fangji Huangqi Decoction (FHD), a Chinese compound formula used for treating rheumatoid arthritis (RA) in the clinic. Trough in vivo validation using collagen-induced arthritis mice, tetrandrine was confirmed to be the main bioactive component of FHD that alleviates RA symptoms through core target COX-2. [Display omitted] • COX-2@MBs with specific adsorption property were synthesized and used to discover the bioactive components in treating RA. • Tetrandrine was validated as the bioactive integrant of FHD in the treatment of RA via targeting to COX-2. • The anti-RA effect of FHD is superior to that of tetrandrine, indicating other components acting supportively for tetrandrine. [ABSTRACT FROM AUTHOR]

[Display omitted] • The pore structure of the existing carrier was adjusted by NaOH etching. • Catalysts with varied etching times were prepared via a urea deposition–precipitation method. • Au/γ-Al 2 O 3 -2 achieves a conversion of 99.6% and a selectivity of 99.5% under optimal conditions. • The mechanism for the conversion of furfural to methyl furoate and by-products was proposed. • The catalytic system is suitable for the oxidative esterification of aromatic aldehydes and alcohols. Furfural, a key biomass-derived compound, can be transformed into high-value chemicals, including methyl furoate, through oxidative esterification. This process finds broad applications across various industries. In the current study, gold nanoparticles were deposited on γ-Al 2 O 3 pretreated with NaOH etching, utilizing the urea deposit-precipitation method followed by reduction in a hydrogen atmosphere. This approach resulted in a highly active Au catalyst, which was thoroughly characterized using multiple analytical techniques. The optimization of NaOH etching enhanced the pore structure and improved the dispersion of the active metal on the support. Notably, the Au/γ-Al 2 O 3 -2 catalyst, prepared with a 2-hour etching duration using 1 M NaOH, exhibited uniformly dispersed gold nanoparticles with an average size of 2.8 nm. The smaller particle size and enhanced dispersion of these Au nanoparticles significantly contributed to the catalyst's superior catalytic activity and recyclability. Under optimized reaction conditions, the Au/γ-Al 2 O 3 -2 catalyst achieved nearly complete conversion of 1 mmol of furfural to methyl furoate within 4 h, with both conversion and selectivity exceeding 99 %. The study also proposed a mechanism for the oxidative esterification of furfural to methyl furoate catalyzed by Au/γ-Al 2 O 3 -2. Additionally, the catalyst's effectiveness in the oxidative esterification of various substrates was investigated, demonstrating its robust activity for aromatic aldehydes and alcohols. This broadens the potential applications of the catalyst in the synthesis of diverse valuable esters. [ABSTRACT FROM AUTHOR]

• Twenty of pentacyclic triterpene conjugates were synthesized via clicking reaction. • BA-AZT1 inhibited both HBsAg secretion and HBV DNA replication. • BA-AZT1 inhibited HBV DNA replication by forming strong binding forces with the B and C regions of the HBV Pol RT region. • BA-AZT1 blocked HBV entry into host cells by competitively binding to NTCP epitope 157–165. • BA-AZT1 may be a promising dual-target inhibitor of HBV polymerase and NTCP receptor with both replication and entry inhibition. The inhibition of HBV DNA and elimination of HBsAg has already been established as an indicator for HBV clinic cure, and a novel dual-targeting inhibitors of HBV polymerase/entry are designed and synthesized in this study. Pentacyclic triterpenes (PTs) scaffold of exhibiting a high affinity to NTCP, including glycyrrhitinic acid (GA), oleanolic acid (OA), ursolic acid (UA), and betulinic acid (BA) were linked neatly with the nucleoside drug zidovudine (AZT) through a molecular hybrid strategy to synthesize twenty of PTs-AZT conjugates for targeting HBV polymerase as well as sodium taurocholate cotransporting polypeptide (NTCP). The conjugates showed significant inhibitory effects on the secretion of HBsAg and HBeAg in HepG2.2.15 cells, and the activity on HBsAg were better. Moreover, HBV DNA replication was also notably suppressed after incubated with the conjugates. The IC 50 value of BA-AZT1 on HBsAg inhibition was 0.65 ± 0.07 μM, and it was 284.2 times and 442.2 times higher comparing to corresponding parent compound BA and AZT. Additionally, the therapeutic index (TI) was also improved by 87.8 times than AZT. And the IC 50 value of BA-AZT1 on inhibition of HBV DNA replication was 0.70 ± 0.02 μM, 10.4 times higher than that of AZT besides conspicuous TI. Molecular docking suggested that AZT skeleton of conjugate BA-AZT1 interacted with B region of HBV Polymerase reverse transcription region, and BA structure simultaneously targeted to C region of polymerase via hydrophobic chain, establishing strong binding interactions with the HBV Pol protein. In addition, docked with NTCP, BA-AZT1 with flat pentacyclic structure inserted into the interface and also formed hydrogen bonds, hydrophobic and van der Waals forces with the amino residue 157–165 of NTCP. Further SPR analysis demonstrated the binding affinity of BA-AZT1 to C region of polymerase was 19.55 μM, stronger than 53.21 μM of BA and 31.82 μM of AZT. BA-AZT1 selectively bound to the 157–165 epitopes of NTCP receptors in host cell but not PreS1 of virus. As a result, we deduced that the designed conjugates targeted NTCP and HBV polymerase, not only prevented HBV from entering host cells via selective binding NTCP, but also inhibited HBV DNA replication through obstructing the function of HBV polymerase, and it could potentially serve as a promising dual-functional and dual-target inhibitor with both replication and entry inhibition to exert anti-HBV activity. [ABSTRACT FROM AUTHOR]

This article successfully fabricates ordered mesoporous nickel phosphide (OM-Ni 2 P) by a nanocasting method using KIT-6 as the template and nickel nitrate as the nickel precursor. The synthesized OM-Ni 2 P catalyst perfectly repeats the highly symmetrical mesoporous structure of KIT-6 and exhibits a large amount of the active Ni substance Niδ+ and the active P substance Pδ−. The ordered mesoporous structure not only promotes electron transfer but also facilitates the diffusion of the reaction medium. OM-Ni 2 P shows superior hydrogen evolution reaction (HER) electrocatalytic performance than the CA-Ni 2 P catalyst with a disordered mesoporous structure. The OM-Ni 2 P material is promising to be a substitute to Pt-based electrocatalysts for hydrolysis. [Display omitted] • The ordered mesoporous OM-Ni 2 P catalyst was prepared by nanocasting method. • OM-Ni 2 P possesses more active Ni substance Niδ+ and active P substance Pδ−. • The ordered mesoporous structure promotes electron transfer and facilitates reaction medium diffusion. • OM-Ni 2 P exhibits high HER performance of water electrolysis. [ABSTRACT FROM AUTHOR]

Massive discharge of ammonia nitrogen wastewater not only causes eutrophication of the water body but also has a toxic effect on humans and living things. How to deal with ammonia nitrogen wastewater is a crucial topic for researchers. Here, a novel catalyst of Pt@Ti–Si where platinum was supported on a composite oxide of titanium oxide (TiO 2) and silicon oxide (SiO 2) via a one-pot method was successfully synthesized for catalytic wet air oxidation (CWAO) of ammonia with a high concentration (more than 2000 ppm). Due to the improved specific surface area of SiO 2 and the excellent acid-base resistance of TiO 2 , the prepared composite oxide-supported platinum catalyst has excellent catalytic performance and good stability for CWAO with a high concentration of ammonia. At 200 °C and the O 2 pressure of 2 MPa for 2 h, the 1%Pt@Ti10–Si1 catalyst has a 96.32% conversion of 2470 ppm ammonia and 97.15% selectivity to N 2 and has good catalytic performance even after five cycles. Under the same reaction conditions, when the chloride concentration in the system is 3000–10000 ppm, the CWAO reaction can be inhibited at an early stage and promote conversion and selectivity at a later stage. The results show that the catalyst has good tolerance to chloride ions, and the treated ammonia nitrogen wastewater can be used for subsequent biochemical processes. Therefore, the developed novel catalyst in this study is effective for the CWAO of highly concentrated ammonia and has potential industrial application value. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • 32 new pentacyclic triterpenoids conjugates were synthesized via molecular hybridization strategy. • Most conjugates exhibited low toxicity and prominent anti-HBV activities against HepG2.2.15 cells. • The active conjugates inhibited both HBsAg secretion and HBV DNA replication. • The active conjugates blocked HBV entry into host cells by competitively binding to NTCP 157–165 epitopes. • BA-PPT3 interacted with the amino acid residues of NTCP through π-cation, hydrogen bond and hydrophobic interaction. Chronic liver diseases caused by hepatitis B virus (HBV) are the accepted main cause leading to liver cirrhosis, hepatic fibrosis, and hepatic carcinoma. Sodium taurocholate cotransporting polypeptide (NTCP), a specific membrane receptor of hepatocytes for triggering HBV infection, is a promising target against HBV entry. In this study, pentacyclic triterpenoids (PTs) including glycyrrhetinic acid (GA), oleanolic acid (OA), ursolic acid (UA) and betulinic acid (BA) were modified via molecular hybridization with podophyllotoxin respectively, and resulted in thirty-two novel conjugates. The anti-HBV activities of conjugates were evaluated in HepG2.2.15 cells. The results showed that 66% of the conjugates exhibited lower toxicity to the host cells and had significant inhibitory effects on the two HBV antigens, especially HBsAg. Notably, the compounds BA-PPT1, BA-PPT3, BA-PPT4, and UA-PPT3 not only inhibited the secretion of HBsAg but also suppressed HBV DNA replication. A significant difference in the binding of active conjugates to NTCP compared to the HBV PreS1 antigen was observed by SPR assays. The mechanism of action was found to be the competitive binding of these compounds to the NTCP 157–165 epitopes, blocking HBV entry into host cells. Molecular docking results indicated that BA-PPT3 interacted with the amino acid residues of the target protein mainly through π-cation, hydrogen bond and hydrophobic interaction, suggesting its potential as a promising HBV entry inhibitor targeting the NTCP receptor. [ABSTRACT FROM AUTHOR]

• Efficient separation technology for the fermentation mother liquor to n-butanol was proposed. • Molecular polarity and weak interaction analysis revealed the extractive separation mechanism. • TCEDP is a typical process intensification strategy with economic, energy and environmental benefits. To solve the problems of difficult separation of azeotropes and high energy consumption in the preparation of n-butanol from the fermented mother liquor, this study focused on the separation process integration of water/acetone/ethanol/n-butanol mixture based on the combination of mixed entrainer and thermally coupled distillation technology. Based on quantum chemical calculations, the molecular polarity and weak interaction between the entrainer and the mixture to be separated were studied at the molecular scale, and the separation mechanism of extractive distillation was revealed. Based on the simulation results, the three different configurations' process performance was evaluated and compared to the benchmark conventional extractive distillation process with ethylene glycol as the entrainer. The thermally coupled extractive distillation process with mixed entrainers can reduce the total annual cost by about 39.87%, reduce energy consumption and acid gas emissions by 46.53%, and improve the thermodynamic efficiency by 47.57%. The thermally coupled extractive distillation process with mixed entrainers is an economical, energy-saving, and environmentally friendly production scheme superior to the conventional extractive distillation process. The thermally coupled extractive distillation process, as an essential energy-saving technology for producing n-butanol from fermentation mother liquor, has broad development prospects. [ABSTRACT FROM AUTHOR]

• Azeotropic coupling pressure-swing distillation is proposed to separate cresol isomers. • Quantum chemical calculations reveal the rationality of solvent screening. • Heat integration technology is further used to improve the process benefits. In this work, an azeotropic coupling pressure-swing distillation separation technology was proposed for the first time to achieve efficient separation of near-boiling complex separation systems in coal chemical wastewater, namely cresol isomers (m-cresol and p-cresol), and achieves process intensification by introducing heat-integration technology. Vapor-liquid equilibrium data and relative volatility analysis were used to screen suitable entrainer. Quinoline is considered to be the most potential entrainer. Quantum chemical calculations were performed to reveal the separation mechanism of the entrainer and the system to be separated at the molecular scale to demonstrate the feasibility of quinoline as an entrainer for the separation of cresol isomers. Based on the Aspen Plus V11 platform, two processes of APSDP and HI-APSDP were built. HI-APSDP can save 31.31% in TAC, reduce 39.50% in total energy consumption and gas emissions, and increase 26.01% in thermodynamic efficiency compared with APSDP. HI-APSDP process is an economical, energy-saving, and environmentally friendly production scheme superior to the APSDP process, which will have essential development prospects in coal chemical wastewater (cresol isomers) treatment. [ABSTRACT FROM AUTHOR]

• Effects of particle size and density difference on segregation were explored. • At a given U g , H is and H cs increased as d pM or ρ pM decreased. • Variations of H is and H cs with U g were steeper for the smaller d pM or ρ pM. • U mf0 was not straightforward criterion to match the two types of particles. • Segregation could only be delayed but completely avoided under magnetization-LAST. For magnetized fluidized beds with Geldart-B magnetizable and nonmagnetizable particles operated under the magnetization-LAST mode, segregation occurs and deepens as the magnetic field intensity increases. This work aimed to explore the effects of particle size and density difference on such segregation. The field intensities (H is and H cs) for the segregation to initiate and complete increased as the gas velocity (U g) increased. Moreover, their increases were steeper at higher gas velocities. The increase of U g raised not only the collision to the magnetic chains but also their mixing tendency with the nonmagnetizable particles. For the given nonmagnetizable particles and U g , H is and H cs increased as the size or density of the magnetizable particles decreased, indicating that it was more difficult for the segregation to occur and complete. Additionally, the smaller/lighter the magnetizable particles, the steeper the variations of H is and H cs with U g. A much stronger magnetic field was required for more of such magnetizable particles to form the desired magnetic chains and keep the desired size. Segregation could only be postponed but completely prevented under the magnetization-LAST operation mode however the two types of particles were matched. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • Established the identification process of key toxicants in coal pyrolysis wastewater. • Biotoxicity of key toxicants was evaluated by toxicology model and experiments. • To provide experimental data for the improvement of pretreatment process. • Introduction of wet air oxidation pretreatment to form a combined treatment process. A comprehensive assessment of the biotoxicity changes of coal pyrolysis wastewater (CPW) during the treatment process is particularly important to alleviate the predicament of unstable biochemical treatment effects. However, in-depth research on reducing the biotoxicity of CPW is still limited. This study conducted an analysis of the composition of CPW, studied the corresponding relationship between pollutants and biotoxicity changes, clarified the key toxic substances (KTSs). And the effects of four traditional extraction systems and wet air oxidation (WAO) on reducing biotoxicity, chemical oxygen demand, total phenols and specific KTSs were evaluated and optimization strategies were proposed. The results showed that phenols contributed the most to biotoxicity. The biotoxicity reduction rates of each extraction system were as follows: butyl acetate (96.6 %) > methyl isobutyl ketone (95.1 %) > isopropyl ether (92.4 %) > trioctylamine (79.5 %). When using trioctylamine extraction, the phenol removal efficiency was the highest. However, due to the strong selectivity, it cannot remove nonphenolic pollutants in a broad-spectrum manner, which was not conducive to reducing overall biotoxicity. The removal rate of nitrogenous heterocyclic compounds (NHCs) was not ideal during extraction and biochemical treatment, and there was still a significant presence in the biochemical effluent. But after WAO treatment, NHCs can be completely removed, and the ratio of ammonia nitrogen to total nitrogen can be increased from less than 25 % to approximately 85 %. After WAO, the B/C ratio of the effluent increased from 0.24 to above 0.34 and the biotoxicity was significantly reduced. Although the biotoxicity was effectively reduced in the enhanced treatment process, the effluent still performed potential biotoxicity, which need to be further explored in order to reduce environmental risk. [ABSTRACT FROM AUTHOR]

[Display omitted] • Novel PILs were constructed and synthesized as the catalyst's carrier. • Strong interaction between Au nanoparticles and N+, O on the PIL was confirmed by XPS. • Adding a small amount of alkali can achieve a high conversion of HMF and high selectivity to FDMC. • The possible reaction routes and mechanisms are proposed through ESP analysis. Although fossil fuels bring convenience to the production and life of people, they also cause numerous environmental problems. As a result of overexploitation, fossil fuels are gradually being depleted as a nonrenewable resource. Biomass is a green and renewable resource and has attracted people's attention. As a platform compound derived from renewable biomass, 5-hydroxymethylfurfural (HMF) is important for in-depth research. The oxidative esterification process from HMF to dimethyl furan-2,5-dicarboxylate (FDMC) was achieved using a gold (Au) nanoparticle (NP) catalyst supported on poly(ionic liquid)s (PILs). The comprehensive characterization of the synthesized catalyst showed that the Au NPs were successfully loaded on PILs, and a strong interaction occurred between the catalyst support and the metal. In this work, 10 %Au/PILs-Cl-1 was used as the best catalyst. The conversion of HMF (C HMF) and the selectivity to FDMC (S FDMC) reached 95.08 % and 96.82 %, respectively, under the conditions of 120 °C, 1.5 MPa, 12 h, and 0.5 equiv. CH 3 ONa. In addition, cycling experiments indicated the stability and successfully recycling of 10 %Au/PILs-Cl-1 catalyst. [ABSTRACT FROM AUTHOR]

To deepen our understanding of the gas-solid magnetized fluidized bed (MFB) and further promote its commercial application, it is of urgent need to clarify the sophisticated branches. The diversity of gas-solid MFBs stemmed mainly from the variety of applied magnetic fields. They could be classified into four broad categories: MFB with uniform steady magnetic field, MFB with gradient steady magnetic field, MFB with oscillating magnetic field, and MFB with transverse rotating magnetic field. For each type, the specific problems encountered in gas-fluidized beds were first introduced. Then actual performances of exerting the magnetic field were reviewed in detail. Thereafter, how the applied magnetic field worked was deeply analyzed. Additionally, various devices for generating the magnetic field were included. By providing a panoramic view, the work done here could help future scholars discriminate the reported findings and further fabricate the right form of gas-solid MFBs to achieve their own goals. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • Solvent induced micelle-limited Mo-CTA+ composites self-assembly strategy was proposed. • The intercalated 1T-enriched rambutan-shaped HDS catalyst was synthesized. • Vertically oriented 1T-MoS 2 catalyst possesses sufficient S vacancies and "rim" sites. • The MoS 2 -75%/0.25 catalyst exhibits both highest HDS activity and HYD selectivity. The 1T-enriched spiny-shaped nanospheres with vertically oriented MoS 2 nanosheets over the surface was successfully prepared with the novel solvent induced micelle-limited Mo-CTA+ composites self-assembly (SIMMS) strategy under the dual effects of mixed sulfur sources (thiourea and thioacetamide) and cetyltrimethylammonium bromide (CTAB). In the proposed strategy, the molybdenum source and CTAB are firstly assembled to Mo-CTA+ by strong electrostatic attraction to avoid the molybdenum source from polymerization and forming large polymolybdate anions. Meanwhile, the CTAB moleculars self-assemble to spherical micelles, which can adsorb Mo-CTA+ through van der Waals force and obtain spherical precursors with a controllable number of nucleation sites. Under the sulfurization from mixed sulfur source, appropriate reducibility can control the formation of crystal seeds and crystal growth during the crystallization process of MoS 2 , whereas CTAB can regulate and control the growth behavior and micro-morphology of MoS 2 , which is ultimately also retained between the MoS 2 nanolayersto expand their interlayer spacing and stabilize the 1T phase. Therefore, the 1T-enriched spiny-shaped nanospheres with vertically oriented MoS 2 nanosheets can be controllably prepared. In the hydrodesulfurization (HDS) reaction of dibenzothiophene (DBT) over these catalysts, the MoS 2 -75%/0.25 catalyst with the highest concentration of sulfur vacancies as well as "rim" and "rim-like" sites can reach the highest HDS activity (99.1%) and HYD/DDS ratio (4.76), which are much higher than those of the MoS 2 -H catalyst prepared by conventional hydrothermal method (HDS DBT %=46.0%, HYD/DDS ratio=0.90). [ABSTRACT FROM AUTHOR]

Developing ideal adsorbents for moving phenolic compounds from aqueous solutions remains a challenge. Herein, novel poly(ionic liquid)s (PILs) of PIL-Ba-x and PIL-An-5 were prepared via Friedel–Crafts alkylation using benzyl alcohol and aniline auxiliary cross-linking agents, respectively, for the adsorption of m -cresol in the aqueous phase. The specific surface areas and pore volumes of the synthesized PILs can be adjusted by pre-polymerization time, thereby realizing the regulation of the adsorption property of m -cresol. Results showed that the adsorption kinetics of PILs conformed to pseudo-second-order kinetics and reached adsorption equilibrium within 6 min. Their adsorption thermodynamics conformed to the Langmuir models. Based on the fitting data of the Langmuir model, the maximum adsorption capacity of m -cresol by PIL-Ba-5 can reach 228 mg/g. Moreover, the mechanism analysis showed that hydrogen bonding, electrostatic interaction, and π–π interaction promoted the adsorption of m -cresol by PIL-Ba. After the adsorption of m -cresol was separated by anhydrous ethanol, the adsorbent was recovered at least five times, and the removal efficiency was stable. [Display omitted] • Novel PILs with high specific surface areas were synthesized for adsorbing m -cresol. • The adsorption performance of PILs can be regulated by the pre-polymerization time. • The maximum adsorption capacity of the prepared PIL is 228 mg/g. • The prepared PIL-Ba-5 can quickly reach adsorption equilibrium within 6 min. • The adsorption effect of PIL remains at a high level after five cycles. [ABSTRACT FROM AUTHOR]

A series of seco -A-pentacyclic triterpenoids-3,4-lactone were synthesized and the anti-HBV activities were evaluated in vitro . Several compounds inhibited the secretion of HBV antigen and the replication of HBV DNA in micromolar level. Compounds D7 and D10 , seco -A-oleanane-3,4-lactone, suppressed the HBeAg secretion with IC 50 values of 0.14 μM and 0.86 μM respectively, and the inhibitory activities were also confirmed by detecting the fluorescence intensity of FITC-labeled monoclonal mouse HBeAg antibody via flow cytometry. Compounds D7 and D10 as well as B4 , ring-A cleaved 3,30-dioic acid, also displayed remarkable inhibition on both HBV DNA replication at the concentration of 25 μM and HBV cccDNA (covalently closed circularDNA) replication with IC 50 values of 33.5 μM, 32.7 μM and 12.3 μM respectively. [ABSTRACT FROM AUTHOR]

The determination of target molecules in complicated matrices such as biological samples is largely dependent on sample pretreatment. Molecularly imprinted solid-phase extraction (SPE), using molecularly imprinted polymers as the adsorbent, has been demonstrated to be effective for the selective enrichment of target molecules in biological samples. In this study, molecularly imprinted polymeric microspheres were fabricated by two-step swelling polymerization using polystyrene particles as seeds, nicotinamide as the template, methacrylic acid as a functional monomer, and ethylene glycol dimethacrylate as a cross-linker. The molecularly imprinted polymeric microspheres were packed into empty SPE cartridges, and the spiked urine and serum samples were loaded separately. After an initial washing and elution step, the effluents were analyzed by high-performance liquid chromatography (HPLC) using 1:9 methanol/0.05% phosphoric acid. The obtained molecularly imprinted polymeric microspheres were uniform, and the spherical particles were well distributed. The established method was validated, and the results showed that the method was linear from 0.499 to 19.96 µg mL−1. The limits of detection and quantification for nicotinamide were 0.3 and 0.9 µg mL−1, respectively. The relative standard deviations were 1.55 and 2.86% in urine and serum, respectively. The spiked recoveries of nicotinamide were 86.0–98.8% and 87.0–96.8% in urine and serum, respectively. The molecularly imprinted SPE and HPLC methods in this study are useful for the pretreatment and determination of the target compounds in these matrices. [ABSTRACT FROM AUTHOR]

[Display omitted] • Dual-bed circulating fluidization is divided into dilute-dense and dual-dense ones. • For dual-dense one, particles are in dense fluidization regime in ascending bed. • Three types of internal circulating fluidized beds (ICFB) were reviewed in detail. • Various factors affecting particle circulation and gas bypassing were analyzed. • Numerical simulation and potential applications of ICFB were summarized. Circulating fluidized bed reactors are widely employed to deal with the gas–solid reactions in the energy industry. They could be classified into two categories as per the combination of fluidization regimes. The traditional circulating fluidized bed belongs to the dilute-dense one. The dual-dense one denotes that particles are densely fluidized in the ascending bed (riser) and in dense fluidization or moving-bed state in the descending bed (downcomer). Yet, the gas velocity in the ascending bed is greater than that in the descending bed. Compared with the dilute-dense one, the dual-dense gas–solid circulating fluidized bed is much more compact in structure and lower in construction cost. However, the concept of dual-dense gas–solid circulating fluidization has not been well realized by nowadays scholars, severely hindering its commercial application. To deepen/broaden people's understanding, a detailed review was carried out on the dual-dense gas–solid circulating fluidization system. The related research involved three types of internal circulating fluidized beds (ICFB): ICFB without internals, ICFB with a flat baffle, and ICFB with a central draft tube. The following issues were deeply analyzed and discussed: 1) mechanism and benefits of dual-dense gas–solid circulating fluidization, 2) effects of various structural and operating parameters on the particle circulation and bidirectional gas bypassing, 3) prediction of particle circulation based on the orifice flow theory, 4) numerical simulation of gas–solid flow behavior, and 5) potential applications already explored in the literature. More importantly, the existing controversies and unsolved issues in this area were identified. [ABSTRACT FROM AUTHOR]

Smart materials with superhydrophobic-superlipophobic switchability can selectively penetrate one phase (oil or water) through the surface, and the other is trapped. In this study, several super wetting materials were fabricated based on the modulation of Friedel–Crafts alkylation and ion exchange on hyper cross-linked poly(ionic liquid)s (HCPILs) properties. They showed high oil-water separation efficiency in different complex environments. These synthetic HCPILs exhibit different hydrophilicity or lipophilicity when containing various anions. In particular, the HCPIL with a hexafluorophosphate (HCPIL-PF 6) or a bis(trifluoromethylsulfonyl)imide (HCPIL-TF 2 N) possesses a switchable super wetting property due to its unique surface structure and chemical composition. They can be freely switched between hyperhydrophilicity and hyperlipophilicity according to the corresponding solvent changes and are suitable for separating many oil-water mixtures, especially the emulsions. The respective separation flux of the oil-water mixture or lotion is up to 9450 L/m2·h and 800.32 L/m2·h. Besides, they have strong durability and stability in harsh environments such as high concentrations of salt, acid, and basic solutions. After dozens of cycles, they can maintain efficient oil-water separation efficiency and exhibit a high underwater oil contact angle or underoil water contact angle. Such smart materials have great potential in various practical applications, providing a significant idea for future continuous production. [Display omitted] • The fabricated HCPILs with various anions exhibit diverse hydrophilicity or lipophilicity. • The hydrophilic-hydrophobic properties of HCPIL-PF 6 or HCPIL-TF 2 N can be switched freely. • HCPIL-PF 6 and HCPIL-TF 2 N show self-adaptability with different wetting solvents. • The HCPILs have a high separation efficiency for the various emulsified oil-water mixture. • The smart materials have excellent stability, recyclability, and high flux. [ABSTRACT FROM AUTHOR]

• Imidazolium-based ILs and derived polymers were employed as metal-free catalysts with high activity. • DFT calculations indicate that imidazole cation structure is key to activating ethanolamine. • Product selectivity can be adjusted by the gas atmosphere and alkaline environment. • The experimental results agree well with the DFT calculations. Ionic liquids (ILs) are unique substances with unique ionic sites. They are regarded as one of the most promising green solvents and catalysts in the 21st century. In this work, the synthesis of imidazolium-based ILs as metal-free catalysts by molecular design is reported for the first time. By using the ILs as precursors, hyper-crosslinked poly(ionic liquid) (HCPIL) was synthesized by Friedel–Crafts alkylation reaction. These metal-free catalysts can effectively activate ethanolamine for the hydrogenation of nitrobenzene, and they have definite active sites. As the synthesized HCPIL-Cl has a rich porous structure and IL structural units, it could maintain the catalytic activity of ILs and recover them via efficient facile filtration and washing. Density functional theory (DFT) calculation suggested that the imidazolium structure is essential to ethanolamine activation. The calculated results of DFT agree well with the experimental results. The hydrogenation of nitrobenzene has many intermediates whose selectivity can be regulated by different gas atmosphere or alkaline environments. This work provides a promising method for the design of metal-free catalysts. [Display omitted] [ABSTRACT FROM AUTHOR]

Using co-substrates to enhance the metabolic activity of microbes is an effective way for high-molecular-weight polycyclic aromatic hydrocarbons removal in petroleum-contaminated environments. However, the long degradation period and exhausting substrates limit the enhancement of metabolic activity. In this study, Altererythrobacter sp. N1 was screened from petroleum-contaminated soil in Shengli Oilfield, China, which could utilize pyrene as the sole carbon source and energy source. Saturated aromatic fractions and crude oils were used as in-situ co-substrates to enhance pyrene degradation. Enzyme activity was influenced by the different co-substrates. The highest degradation rate (75.98%) was achieved when crude oil was used as the substrate because strain N1 could utilize saturated and aromatic hydrocarbons from crude oil simultaneously to enhance the degrading enzyme activity. Moreover, the phthalate pathway was dominant, while the salicylate pathway was secondary. Furthermore, the Rieske-type aromatic cyclo-dioxygenase gene was annotated in the Altererythrobacter sp. N1 genome for the first time. Therefore, the co-metabolism of pyrene was sustained to achieve a long degradation period without the addition of exogenous substrates. This study is valuable as a potential method for the biodegradation of high-molecular-weight polycyclic aromatic hydrocarbons. [Display omitted] • Altererythrobacter sp. N1 was isolated from crude oil-contaminated soil. • Strain N1 degraded pyrene via salicylate and phthalate pathways. • Initial annotation of Rieske-type aromatic cyclo-dioxygenase for Altererythrobacter. • Co-metabolism of pyrene was sustained without the addition of exogenous substrates. [ABSTRACT FROM AUTHOR]

This work presented a new scheme to establish structural parameters model, and the model was used to solve structural parameters based on the available structure-based drag model. By combining with the Eulerian two-fluid model, the hydrodynamics of circulating fluidized beds (CFBs) was simulated. Different combinations of clusters properties, including the cluster voidage and diameter, were adopted to fit for Geldart A and B particles and to close the insufficient solving equations, respectively. The simulated solid mass flux, radial and axial voidage profiles were in agreement with the experimental data. The dilute-top/dense-bottom and the core-annular flow structure were also captured. Moreover the spatiotemporal fluctuation of clusters can be observed from those simulations. Simulation results showed the combination of the structural parameters model with the available structure-based drag model can predict well the hydrodynamics for Geldart A and B particles in CFBs. [ABSTRACT FROM AUTHOR]

[Display omitted] • RuCl 6 2- was anchored on the functionalized CMK-3 by positively charged DAT layer. • Highly dispersed Ru nanoparticles were produced on the functionalized CMK-3. • The corresponding catalyst had excellent activity for ammonia CWAO. This article proposes a novel decamethonium bromide (DATB)-assisted hydrothermal method to synthesize highly dispersed Ru/functionalized CMK-3 catalyst for catalytic wet air oxidation (CWAO) of ammonia. The proposed strategy anchors RuCl 6 2- onto the electropositive DAT (decyltrimethylammonium ion)-modified CMK-3-N support. As a consequence, the aggregation of Ru nanoparticles during high temperature treatment is inhibited by the electrostatic interaction between the Ru species and CMK-3-N-DTA as well as the isolation effect of carbon deposits. The DMH-AH catalyst exhibits superior activity and selectivity for ammonia nitrogen removal than the reference catalyst synthesized via traditional impregnation method. [ABSTRACT FROM AUTHOR]