Hole Site Research Articles

Harnessing Hole Sites in 2D Monolayer C60 for Metal Cluster Anchoring.

Synthesis of 2D quasi-hexagonal phase C60 (qHP C60) has opened avenues for its application as a novel catalytic support. This study investigates the structure, stability, and anisotropic properties of Cu4 clusters anchored on the qHP C60 surface through density functional theory calculations. Our findings reveal that the Cu4 cluster preferentially occupies the intrinsic holes of the qHP C60 via one of its tetrahedral faces, resulting in enhanced stability and conductivity, with a significantly reduced band gap of 0.11 eV, compared to the semiconductor behavior of pristine qHP C60. The anisotropic mechanical properties are retained, affirming the robustness of the material under stress. Importantly, the interaction between qHP C60 and Cu4 not only modifies intramolecular bonding but also introduces additional active sites, thereby having a promising enhanced catalytic performance. This work underscores the potential of qHP C60 as an innovative support in catalysis, paving the way for further exploration of its capabilities in industrial applications.

Selective light-driven methane oxidation to ethanol

Methane (CH4) photocatalytic upgrading to value-added chemicals, especially C2 products, is significant yet challenging due to sluggish energy/mass transfer and insufficient chemical driven-force in single photochemical process. Herein, we realize solar-driven CH4 oxidation to ethanol (C2H5OH) on crystalline carbon nitride (CCN) modified with Cu9S5 and Cu single atoms (Cu9S5/Cu-CCN). The integration of photothermal effect and photocatalysis overcomes CH4-to-C2H5OH conversion bottlenecks, with Cu9S5 as a hotspot to convert solar-energy to heat. In-situ characterizations demonstrate that Cu single atoms play as electron acceptor for O2 reduction to ·OOH/ · OH, while Cu9S5 acts as hole acceptor and site for CH4 adsorption, C − H activation, and C − C coupling. Theoretical calculations demonstrate that Cu9S5/Cu-CCN reduces C − C coupling energy barrier by stabilizing ·CH3 and ·CH2O. Impressively, C2H5OH productivity reaches 549.7 μmol g–1 h–1, with selectivity of 94.8% and apparent quantum efficiency of 0.9% (420 nm). This work provides a sustainable avenue for CH4 conversion to value-added chemcials.

Naphthyl-functionalized acetamide derivatives: Promising agents for cholinesterase inhibition and antioxidant therapy in Alzheimer’s disease

This study presents the synthesis and characterization of a series of 13 novel acetamides. These were subjected to Ellman’s assay to determine the efficacy of the AChE and BChE inhibitors. Finally, we report their antioxidant activity as an alternative approach for the search for drugs to treat AD. These studies revealed that compounds 1a–1k and 2l–2m were obtained in moderate yield. Four amides (1h, 1j, 1k, and 2l) were selective for one of the enzymes (BChE); thus, those that inhibited BChE were more active than the positive control (galantamine) and showed better IC50 values (3.30–5.03 µM). The theoretical free binding energies calculated by MM-GBSA indicated that all inhibitors were more stable than rivastigmine, and the inhibition mechanisms involved the entire active site: peripheral anionic site, oxyanion hole, acyl-binding pockets, and catalytic site. We examined the cytotoxicity of compounds 1h, 1j, 1k, and 2l in human dermal cells and found that they did not exhibit any toxic effects under the tested conditions. Additionally, these compounds, which also inhibited BChE, displayed mixed inhibition and did not exhibit hemolytic effects on human erythrocytes. Furthermore, the ABTS and DPPH assays indicated that, although none of the compounds showed activity in the DPPH assay, the EC50 values for radical trapping by the ABTS method showed that compounds 1a, 1d, 1e, and 1g had EC50 values lower than 10 µg/mL, indicating their strong radical scavenging capacity. We also report the crystal structures of compounds 1c, 1d, 1f, and 1g, which are found in monoclinic crystal systems.

Zearalenone degradation by peptide-based enzyme mimics attached membrane reactor: Performance and mechanism

Zearalenone (ZEN) is a nonsteroidal estrogenic mycotoxin with widespread contamination. Inspired by lactone hydrolases, a peptide-based enzyme mimetic material for degrading ZEN was developed by combining serine, histidine and glutamate (S/H/E) catalytic triad with pro-hydrophobic self-assembling sequences and oxyanion hole site. Chitosan hybrid membranes were prepared, followed by immobilizing enzyme mimic on the membrane surface to fabricate biocatalytic membrane reactor. The membrane reactor, with good thermal stability and high catalytic activity after repeated use, can be applied to the degradation of ZEN in food. Computer simulation studies of the degradation mechanism indicated that the carbon atom on the lactone bond within ZEN molecule was susceptible to catalytic triplex attack, leading to lactone bond broken, followed by spontaneous decarboxylation to produce dihydroxyphenyl derivatives with greatly reduced binding capacity to the estrogen receptors. This kind of peptide-based enzyme mimetic material would be very promising in degrading mycotoxins in food safety field.

Merging semi-crystallization and multispecies iodine intercalation at photo-redox interfaces for dual high-value synthesis

The artificial photocatalytic synthesis based on graphitic carbon nitride (g-C3N4) for H2O2 production is evolving rapidly. However, the simultaneous production of high-value products at electron and hole sites remains a great challenge. Here, we use transformable potassium iodide to obtain semi-crystalline g-C3N4 integrated with the I-/I3- redox shuttle mediators for efficient generation of H2O2 and benzaldehyde. The system demonstrates a prominent catalytic efficiency, with a benzaldehyde yield of 0.78 mol g−1 h−1 and an H2O2 yield of 62.52 mmol g−1 h−1. Such a constructed system can achieve an impressive 96.25% catalytic selectivity for 2e- oxygen reduction, surpassing previously reported systems. The mechanism study reveals that the strong crystal electric field from iodized salt enhances photo-generated charge carrier separation. The I-/I3- redox mediators significantly boost charge migration and continuous electron and proton supply for dual-channel catalytic synthesis. This groundbreaking work in photocatalytic co-production opens neoteric avenues for high-value synthesis.

Unconventional Radical and Radical-Hole Site-Based Interactions in Halogen-Bearing Dimers and Trimers: A Comparative Study.

Radical (R•) and R•-hole site-based interactions are comparatively studied, for the first time, using ab initio methods. In this regard, R•-bearing molecules •XO3 (where X = Cl, Br, and I) were subjected to direct interaction with NH3 within dimeric and trimeric forms in the form of NH3···•XO3/•XO3···NH3 and NH3···•XO3···NH3 complexes, respectively. As confirmed by electrostatic potential analysis, the studied R•-bearing molecules •XO3 had the outstanding potentiality to interact as Lewis acid centers via two positive sites dubbed as R• and R•-hole sites. Such an observation proposed the potentiality of the considered •XO3 molecules to engage in unconventional R• and well-established R•-hole site-based interactions with Lewis bases. This was confirmed by negative interaction (E int) energies, ranging from -4.93 to -19.89 kcal/mol, with higher favorability for R• site-based interactions over the R•-hole site-based ones. MP2 energetic features furnished higher preferability for the R• site-based interactions than the R•-hole site-based ones in the case of chlorine- and bromine-bearing complexes, and the reverse was true for the iodine-bearing complexes. Moreover, elevated E int values were recorded for the NH3···•XO3···NH3 trimers over the NH3···•XO3 and •XO3···NH3 dimers, outlining the higher preference of the •XO3 molecules to engage in R• and R•-hole site-based interactions in the trimeric form over the dimeric one. These results might be considered a requisite linchpin for numerous forthcoming supramolecular chemistry and crystal engineering studies.

Zinc indium sulfide coupling with graphitic carbon nitride containing non-intrinsic oxygen vacancies to form Z-scheme heterojunction for boosting photodegradation of tetracycline

A novel graphitic carbon nitride containing non-intrinsic oxygen vacancies (Vo-CN) is interfacial coupling with zinc indium sulfide (ZIS) to form Z-scheme heterojunction (VCZ) for efficient tetracycline (TC) degradation. The TC removal rate by VCZ-1 (mass ratio of Vo-CN: ZIS is 1:20, 0.2 g/L) achieves 99.86 %. VCZ-1 reveals outstanding reusability and stability with an unchanged TC degradation rate after undergoing five cycles. VCZ-1 achieves high-efficiency TC degradation in various water matrices. The experimental and DFT calculations indicate that the built-in electric field drives charges on Vo-CN transfer to ZIS, forming a Z-scheme VCZ-1 heterojunction. The strong electronic coupling effect between Vo-CN and ZIS facilitates charge exchange at the heterojunction interface. Non-intrinsic oxygen vacancies in VCZ, as binding sites for electrons and holes, effectively lower the energy barrier for singlet excitons converting to triplet excitons. The triplet excitons are induced to transfer energies to dissolved oxygen and expedite 1O2 production. 1O2 synergizes with •O2– and •OH to attack O-containing groups and hexatomic rings in TC, inducing demethylation, hydroxylation, dihydroxylation, and ring-opening reactions. Three possible degradation pathways are inferred by UPLC/MS/MS and Fukui index of TC. The ecotoxicity evaluation of intermediate products highlights the benefits of VCZ-1 photocatalytic oxidation in ensuring environmental safety. This work proposes a novel idea for constructing efficient Z-scheme photocatalysts for environmental remediation.

Vanadium embedded in monolayer silicene: Energetics and proximity-induced magnetism

Using the density-functional theory approach, including Hubbard U correction, we investigate the defect structures consisting of vanadium (V) atoms embedded in a monolayer silicene. Specifically, we consider V–V atom pairs in antiferromagnetic (AFM), ferromagnetic (FM), and non-magnetic states, which are embedded in substitutional and interstitial sites. We determine the ground-state structures, formation and binding energies, electronic structures, induced magnetization, as well as the spin-exchange coupling between the V–V pair. For the substitutional vanadium atom pair, the stability of the AFM and FM spin configurations depends on the sublattice sites in which the V atoms are sited. When the V pair is located on a similar sublattice site type, the AFM spin alignment is more energetically favored, whereas when the pair is located in a different sublattice site, the FM interactions are more stable. However, the relative stability of the AFM or FM configurations changes rapidly as the separation between the V pair increases. Regarding the interstitial-hole V–V pair configurations, the most stable structure is when the pair is at the nearest-neighbor hole sites and is in an FM alignment. Also, at larger separations, the AFM or FM hole configurations are approximately degenerate in energy. Furthermore, we elucidate on the Ruderman–Kittel–Kasuya–Yosida, direct-exchange, and the superexchange interaction mechanisms in the vanadium-embedded silicene. In addition, we estimate a Curie temperature (Tc) of up to ∼500 K for a silicene structure containing a V pair in the FM spin alignment. Such a high Tc, in addition to the stability of the material, suggests that vanadium-embedded silicene is a potential candidate material for spintronic device applications.

The role of CO on initial oxidation behavior of α-U(001) surface: A first principles study

A first-principles approach based on density-functional theory has been used to investigate the corrosion resistance of alpha-U in the CO environment. Calculations show that O2 molecules spontaneously dissociate on the uranium surface, and the two O atoms formed by dissociation tend to adsorb on the hole sites and bind to the surface in the form of a U–O bond to emit a large amount of heat. The CO molecules occur on the surface of uranium as a non-dissociative chemical. The mechanism of CO inhibiting the adsorption of O2 molecules stems from the fact that CO molecules occupy the optimal adsorption sites. Another inhibition mechanism, the combination of C atoms and O atoms to form bonds and consume oxygen atoms, has little effect on uranium corrosion.

Adsorption and disproportionation of carbon monoxide on faceted-gold surfaces and edges

Localized surface plasmons (LSP) on faceted surfaces of gold nanoparticles enable carbon monoxide disproportionation to be driven at room temperature. In order to expand the known surfaces that catalyze this reaction, we explore the adsorption of carbon monoxide at top, long bridge, short bridge, and hole sites on gold (100), (110), (111), (211), and (311) faceted surfaces, as well as the reaction barriers for disproportionation at the lowest energy adsorption site on each surface and edges between two (311) surfaces and (100) and (110) surfaces. Generally, the less atomically dense, higher index facets promote both good adsorption and reactivity, and the edges show lower barriers for disproportionation. For most of the explored surfaces, adsorption directly on top of a gold atom is most favorable. The lowest activation energy for carbon monoxide disproportionation to amorphous carbon and carbon dioxide is predicted for two carbon monoxides adsorbed on top of atoms on the (311)/(311) edge.

Excessive Heat Generation by Power-Driven Craniotomy Tools: A Possible Cause of Autologous Bone Flap Resorption Observed in an Ex Vivo Simulation

Bone flap resorption is an issue after autologous cranioplasty. Critical temperatures above 50°C generated by power-driven craniotomy tools may lead to thermal osteonecrosis, a possible factor in resorption. This exvivo study examined whether the tools produced excessive heat resulting in bone flap resorption. Using swine scapulae maintained at body temperature, burr holes, straight and curved cuts, and wire-pass holes were made with power-driven craniotomy tools. Drilling was at the conventional feed rate (FR) plus irrigation (FR-I+), at a high FR plus irrigation (hFR-I+), and at high FR without irrigation (hFR-I-). The temperature in each trial was recorded by an infrared thermographic camera. With FR-I+, the maximum temperature at the burr holes, the cuts, and the wire-pass holes was 69.0°C, 56.7°C, and 46.2°C, respectively. With hFR-I+, these temperatures were 53.1°C, 52.1°C, and 46.0°C, with hFR-I- they were 56.0°C, 66.5°C, and 50.0°C; hFR-I- burr hole- and cutting procedures resulted in the highest incidence of bone temperatures above 50°C followed by FR-I+, and hFR-I+. At the site of wire-pass holes, only hFR-I- drilling produced this temperature. Except during prolonged procedures in thick bones, most drilling with irrigation did not reach the critical temperature. Drilling without irrigation risked generating the critical temperature. Knowing those characteristics may be a help to perform craniotomy with less thermal bone damage.

Strict Liability in the Principles of European Tort Law: The Black Hole and Central Building Site

Abstract The rule on strict liability is regarded by many specialists as the central building site of the Principles of European Tort Law (PETL). The following contribution first gives a brief overview of the current state of the law in Europe regarding this area, which is of enormous importance in European practice. It then presents rationales for the introduction of strict liability with a precise proposal for a rule restating the current state of the law from a European-wide perspective, while, at the same time, allowing the courts sufficient flexibility in reaching a decision in individual cases.

Unveiling the synergistic role of nitrogen vacancies and Z-scheme heterojunction in g-C3N4/β-Bi2O3 hybrids for enhanced CO2 photoreduction

Rational design of highly efficient photocatalysts for CO2 conversion into carbonaceous fuels is of great significance to mitigate the global greenhouse effect and energy shortage problem. Among numerous materials studied for this purpose, the carbon nitride (g-C3N4) has been widely used in photocatalytic CO2 reduction (PCR) due to its decent optical properties, low cost and environment friendliness. However, its wide use still remains a substantial challenge due to inefficiency of the active site and rapid recombination of photogenerated electrons and holes. Herein, we suggest a Z-scheme system of nitrogen vacancies g-C3N4/β-Bi2O3 heterojunction photocatalyst based on self-assembly of nitrogen vacancies in g-C3N4 nanosheets and β-Bi2O3 micro-flowers, yielding an enhanced CO evolution rate of 30.56 μmol·g−1·h−1 under the simulated solar light without any cocatalysts and sacrificial agents. Our detailed studies indicate that the promoted PCR performance originates from the stronger adsorption capability of the *COOH intermediates due to the cleavage of the C-C bond in nitrogen vacancies g-C3N4 (NV-C3N4), turning the most endothermic step from the formation of *COOH intermediates to *CO. Moreover, the unique Z-scheme feature can efficiently facilitate the separation of photoelectron-hole pairs and enhance redox capability by optimizing the energy band structure. To sum up, this work provides deep insights and guidelines for rational design of highly efficient Z-scheme heterojunctions catalysts for CO2 photoreduction to solar fuels.

A Coherent Pd–Pd16B3 Core–Shell Electrocatalyst for Controlled Hydrogenation in Nitrogen Reduction Reaction

AbstractThe manipulation of surface catalytic sites has rarely been explored for metal borides, and the subsurface effects on the electrocatalytic activity of the nitrogen reduction reaction (NRR) remain unknown. Herein, this work develops a core–shell nanoparticle catalyst with a Pd core that ensures high electron transfer rates and an Pd16B3 atomical shell that possess tunable active sites for regulating the NRR. The atomic structural evolution from Pd to Pd16B3 is investigated by precisely controlling the B atom diffusion, molecular rearrangement, and d–sp orbital hybridization. Pd/Pd16B3 core–shell nanocrystals exhibit an exceptional NRR performance with a high NH3 Faradaic efficiency of 30.8%, which is superior to those of pristine Pd (1.2%) and B‐doped Pd (4.8%) under identical conditions, and a yield rate of 0.81 µmol h−1 cm−2. This work discovers that the Pd16B3 shell could promote the NRR selectivity by separating the separating the hydrogen evolution reaction proceeded on hole sites and NRR proceeded on bridge sites, and the Pd core could provide the excellent conductivity to Pd16B3 shell through regulated electron interactions. Consequently, the controlled chemical ordering of palladium boride on palladium surfaces provides insight into the synthesis of advanced NRR electrocatalysts.

Long-term monitoring of SARS-CoV-2 variants in wastewater using a coordinated workflow of droplet digital PCR and nanopore sequencing

Quantitative polymerase chain reaction (PCR) and genome sequencing are important methods for wastewater surveillance of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The reverse transcription-droplet digital PCR (RT-ddPCR) is a highly sensitive method for quantifying SARS-CoV-2 RNA in wastewater samples to track the trends of viral activity levels but cannot identify new variants. It also takes time to develop new PCR-based assays targeting variants of interest. Whole genome sequencing (WGS) can be used to monitor known and new SARS-CoV-2 variants, but it is generally not quantitative. Several short-read sequencing techniques can be expensive and might experience delayed turnaround times when outsourced due to inadequate in-house resources. Recently, a portable nanopore sequencing system offers an affordable and real-time method for sequencing SARS-CoV-2 variants in wastewater. This technology has the potential to enable swift response to disease outbreaks without relying on clinical sequencing results. In addressing concerns related to rapid turnaround time and accurate variant analysis, both RT-ddPCR and nanopore sequencing methods were employed to monitor the emergence of SARS-CoV-2 variants in wastewater. This surveillance was conducted at 23 sewer maintenance hole sites and five wastewater treatment plants in Michigan from 2020 to 2022. In 2020, the wastewater samples were dominated by the parental variants (20A, 20C and 20 G), followed by 20I (Alpha, B.1.1.7) in early 2021 and the Delta variant of concern (VOC) in late 2021. For the year 2022, Omicron variants dominated. Nanopore sequencing has the potential to validate suspected variant cases that were initially undetermined by RT-ddPCR assays. The concordance rate between nanopore sequencing and RT-ddPCR assays in identifying SARS-CoV-2 variants to the clade-level was 76.9%. Notably, instances of disagreement between the two methods were most prominent in the identification of the parental and Omicron variants. We also showed that sequencing wastewater samples with SARS-CoV-2 N gene concentrations of >104 GC/100 ml as measured by RT-ddPCR improve genome recovery and coverage depth using MinION device. RT-ddPCR was better at detecting key spike protein mutations A67V, del69–70, K417N, L452R, N501Y, N679K, and R408S (p-value <0.05) as compared to nanopore sequencing. It is suggested that RT-ddPCR and nanopore sequencing should be coordinated in wastewater surveillance where RT-ddPCR can be used as a preliminary quantification method and nanopore sequencing as the confirmatory method for the detection of variants or identification of new variants. The RT-ddPCR and nanopore sequencing methods reported here can be adopted as a reliable in-house analysis of SARS-CoV-2 in wastewater for rapid community level surveillance and public health response.

Construction of fully coated polypyrrole oxygen-barrier film based on MXene nanosheets for high reliability capacitive deionization

MXene has emerged as a promising capacitive deionization (CDI) faradic material for the advantages of excellent hydrophilicity, outstanding specific capacitance, and highly reversible ions intercalation/de-intercalation. However, its practical applications are severely restricted by the bottleneck problems of severe self-stacking and susceptibility to be oxidized by dissolved oxygen in aqueous solution. Herein, polypyrrole (PPy) oxygen-barrier film was fabricated and fully coated on the surface of MXene by the in-situ polymerization method to construct the composite electrode of PPy@MXene. In this unique architecture, the PPy oxygen-barrier film both enhances the antioxidant properties of MXene and weakens the strong interfacial interactions between MXene nanosheets to reduce the self-aggregation. Meanwhile, by doping different ions (Cl– and dodecyl benzene sulfonate, DBS–), PPy films were provided with excellent conductivity, abundant hole sites, and good ion exchange properties, which significantly promoted the charge priority adsorption capability of PPy-Cl@MXene and PPy-DBS@MXene electrodes. Consequently, compared with MXene//MXene cell, the PPy-Cl@MXene//PPy-DBS@MXene CDI cell presents dominant deionization capacity (55 mg g−1) and outstanding cycling stability (3 % degradation after 40 cycles). Most importantly, the morphology, structure and surface charge characteristics of the electrodes after long-term desalination confirmed that the MXene with fully coated PPy film was not destroyed by dissolved oxygen and maintained good structural integrity, which is conducive to improving the reliability of the MXene-based electrodes in CDI. Additionally, ion doped PPy@MXene electrodes highlight preferential adsorption to divalent cations. The work proposes a new strategy to advance the practical application of MXene by simultaneously solving its self-stacking and oxidative degradation issues.

Characteristics of fundus autofluorescence imaging at 795 nm and its correlations with postoperative outcomes for idiopathic macular hole.

Vitrectomy combined with internal limiting membrane (ILM) peeling or ILM inverted flap greatly improves hole closure and vision prognosis for idiopathic macular holes (IMH). The application of indocyanine green (ICG) in MH surgery increases the visibility of ILM and the safety of surgery. However, the area of ILM peeling and the state of the flap and a closed hole has not been well observed. Fundus autofluorescence at 7935nm can show the range of ILM peeling and the state of the hole site and ILM flap by monitoring residual ICG postoperatively. However, the characteristics of fundus autofluorescence especially the site of the closed hole, and its relationship with vision prognosis have not been explored. The aim of this project was to find the autofluorescence features of the closed hole and their relation with vision. To investigate the characteristics of fundus autofluorescence imaging after ICG-assisted vitrectomy for IMH and to evaluate the correlations of fluorescence patterns at the MH site with visual acuity and macular anatomic outcomes. We retrospectively evaluated 33 IMH patients (33 eyes) who underwent a 25G pars plana vitrectomy (follow-up, 6-14.5 months). ICG staining (2.5 mg/mL) was either used to remove the internal limiting membrane (ILM) or the inverted ILM flap was overlaid on the hole. After surgery, fluorescence imaging of the fundus was obtained using a scanning laser ophthalmoscope at 795 nm. On fluorescence imaging, the area of ILM peeling in all eyes showed hypofluorescence with no changes over time. The inverted ILM flap (performed in 18 eyes) was positioned on the inferior retina and exhibited early mild hyperfluorescence with blurred edges. This was gradually enhanced up to 3-6 months postoperatively and was then attenuated. MHs showed two distinct patterns on optical coherence tomography: granular (21 eyes) and patchy hyperfluorescence (12 eyes). Best-corrected visual acuity improved postoperatively in all cases (p<0.001, Z=-4.744). VA was worse in the patchy (vs. granular) hyperfluorescence cases (p=0.011, Z=-2.548). The status of the ILM peeling area, ILM flap, and closed MH can be clearly observed using autofluorescence imaging at 795 nm. Fluorescence may be due to ICG staining of the ILM and accumulation in retinal pigment epithelium cells during ICG-assisted surgery. Granular hyperfluorescence at the MH site may indicate good anatomic and visual prognoses.

The Influence of Site of Co and Holes in PCD Substrate on Adhesive Strength of Diamond Coating with PCD Substrate

Polycrystalline diamond (PCD) prepared by the high temperature and pressure method often uses Co as a binder, which had a detrimental effect on the cutting performance of PCD, thus Co needed to be removed. However, the removal of Co would cause residual holes and also make the cutting performance of PCD poorer. To address this issue, hot filament chemical vapor deposition (HFCVD) was used. During deposition, the residual holes cannot be filled fully, and Co would diffuse to the interface between CVD diamond coatings and the PCD substrate, which influenced the adhesive strength of the diamond coating with the PCD substrate. In order to investigate the influencing mechanism, both experiments and the density functional theory (DFT) calculations have been employed. The experimental results demonstrate that Co and the holes in the interface would reduce the interfacial binding strength. Further, we built interfacial structures consisting of diamond (100), (110), (111) surfaces and PCD to calculate the corresponding interfacial binding energy, charge density and charge density difference. After contrast, for Co and the holes located on the (110) surface, the corresponding interfacial binding energy was bigger than the others. This means that the corresponding C-C covalent bond was stronger, and the interfacial binding strength was higher. Based on this, conducting cobalt removal pretreatment, optimizing the PCD synthetic process and designing the site of Co can improve the performance of the PCD substrate CVD diamond coating tools.

A novel “Snowflake”--rGO-CuO for ultrasonic degradation of rhodamine and methyl orange

Graphene-doped CuO (rGO-CuO) nanocomposites with flower shapes were prepared by an improved solvothermal method. The samples were characterized by X-ray diffraction, X-ray photoelectron spectroscopy and UV–visible spectroscopy. The active species in the degradation reaction of rGO-CuO composites under ultrasonic irradiation were detected by electron paramagnetic resonance. On the basis of comparative experiments, the photodegradation mechanisms of two typical dyes, Rhodamine B (Rh B) and methyl orange (MO), were proposed. The results demonstrated that the doped CuO could improve the degradation efficiency. The catalytic degradation efficiency of rGO-CuO (2:1) to rhodamine B (RhB) and methyl orange (MO) reached 90 ​% and 87 ​% respectively, which were 2.1 times and 4.4 times of the reduced graphene oxide. Through the first-principles and other theories, we give the reasons for the enhanced catalytic performance of rGO-CuO: combined with internal and external factors, rGO-CuO under ultrasound could produce more hole and active sites that could interact with the OH· in pollutant molecules to achieve degradation. The rGO-CuO nanocomposite has a simple preparation process and low price, and has a high efficiency of degrading water pollution products and no secondary pollution products. It has a low-cost and high-efficiency application prospect in water pollution industrial production and life.

A Clinical Audit: Ventriculoperitoneal Shunt for Patients with Hydrocephalus

Purpose: Hydrocephalus, abnormal accumulation of CSF in the ventricles, is one of the most common diseases of the brain. Ventriculoperitoneal shunting is one of the commonest procedures for management of hydrocephalus. Assessment and evaluation of the clinical outcome, following VP shunt, should be carried out to decrease rates of complications of this procedure. Clinical audit plays a vital role in identifying and developing effective methods for improving patient care. This paper sheds light on 37 neurosurgical patients with hydrocephalus who underwent ventriculoperitoneal shunt surgery. Our aim was to identify defects in steps in management of hydrocephalus by VP shunt from time of admission to discharge.&#x0D; Methodology: In this audit study 37 patients with hydrocephalus were selected between November, 2021 and December, 2022 at West Erbil emergency hospital and Erbil teaching hospital. VP shunt surgery was performed for them. Information was gathered from patient records, diagnostic imaging, and operation notes, and subsequent clinical follow-up evaluations were carefully analyzed and reviewed. The gathered data encompassed demographic details, clinical manifestations, radiological studies, reasons for surgery, operative findings, and complications associated with the shunt.&#x0D; Findings: The prevalent causes observed were congenital hydrocephalus (45.9%), posterior fossa tumors (13.5%), and post meningitis hydrocephalus (18.9%). A right-sided VP shunt utilizing a medium-pressure valve system emerged as the most prevalent treatment modality. Three patients exhibited symptoms and signs indicative of shunt infection. Additionally, one patient experienced an epidural hematoma at the site of the burr hole.&#x0D; Unique contribution to theory, practice and policy: Patients with hydrocephalus and undergoing VP shunt surgery should be evaluated carefully and every step from time of admission to discharge is crucial in decreasing the complications which are associated with this surgery.