bluuebunny/crossref_metadata_2025 huggingface dataset:
A Green Method for the Determination of Cadmium in Natural Waters Based on Multi-Fibre Supported Liquid Membranes
Authors: Pinto Juan J. , Mánuel Victoria , Moreno Carlos
Published: March 2023

Supported liquid membranes have been used to implement a hollow fibre liquid-phase microextraction (HF-LPME) method for the preconcentration of Cd(II) in natural waters as a sample preparation step for its determination by high-resolution continuum source graphite furnace atomic absorption spectrometry (HR-CS-GFAAS). This system was designed to use four hollow fibres simultaneously with the same sample, thus improving the simplicity, speed and reproducibility of the results. The organic liquid membrane bis-(2,4,4-trimethylpentyl) phosphinic acid (Cyanex® 272) dissolved in dihexylether (DHE) was immobilised into the pores of the walls of polypropylene hollow fibres. After extraction, the cadmium-enriched acidic phases were recovered and analysed by triplicate. To optimise the extraction process, the effect of both physical and chemical variables was studied, and optimum results with an enrichment factor (EF) of 292 were obtained for a fibre length of 6 cm, 1.06 M Cyanex 272, 0.04 M HNO3, stirring rate of 600 rpm and an extraction time of 4.26 h. For practical applications, extraction time was reduced to 2 h, keeping the EF as high as 130. Under these conditions, a detection limit of 0.13 ng L−1 Cd(II) was obtained, with a reproducibility of 3.3 % and a linear range up to 3 µg L−1 being achieved. The proposed method was successfully applied to the determination of cadmium in mineral, tap and seawater samples.
Novel Pyrrolidinium-Functionalized Styrene-b-ethylene-b-butylene-b-styrene Copolymer Based Anion Exchange Membrane with Flexible Spacers for Water Electrolysis
Authors: Xu Ziqi , Delgado Sofia , Atanasov Vladimir , Morawietz Tobias , Gago Aldo Saul , Friedrich Kaspar Andreas
Published: March 2023

Anion exchange membranes (AEM) are core components for alkaline electrochemical energy technologies, such as water electrolysis and fuel cells. They are regarded as promising alternatives for proton exchange membranes (PEM) due to the possibility of using platinum group metal (PGM)-free electrocatalysts. However, their chemical stability and conductivity are still of great concern, which is appearing to be a major challenge for developing AEM-based energy systems. Herein, we highlight an AEM with styrene-b-ethylene-b-butylene-b-styrene copolymer (SEBS) as a backbone and pyrrolidinium or piperidinium functional groups tethered on flexible ethylene oxide spacer side-chains (SEBS-Py2O6). This membrane reached 27.8 mS cm−1 hydroxide ion conductivity at room temperature, which is higher compared to previously obtained piperidinium-functionalized SEBS reaching up to 10.09 mS cm−1. The SEBS-Py206 combined with PGM-free electrodes in an AWE water electrolysis (AEMWE) cell achieves 520 mA cm−2 at 2 V in 0.1 M KOH and 171 mA cm−2 in ultra-pure water (UPW). This high performance indicates that SEBS-Py2O6 membranes are suitable for application in water electrolysis.
Light Alloys and Their Applications
Authors: Li Chonghe , Feng Qisheng
Published: March 2023

Light alloys usually refer to alloys that are based on light metals such as aluminum, magnesium, titanium, etc [...]
Hydrogen-Accelerated Fatigue of API X60 Pipeline Steel and Its Weld
Authors: Faucon Lorenzo Etienne , Boot Tim , Riemslag Ton , Scott Sean Paul , Liu Ping , Popovich Vera
Published: March 2023

In this work, the hydrogen fatigue of pipeline steel X60, its girth welds and weld defects were investigated through in situ fatigue testing. A novel in situ gaseous hydrogen charging fatigue set-up was developed, which involves a sample geometry that mimics a small-scale pipeline with high internal hydrogen gas pressure. The effect of hydrogen was investigated by measuring the crack initiation and growth, using a direct current potential drop (DCPD) set-up, which probes the outer surface of the specimen. The base and weld metal specimens both experienced a reduction in fatigue life in the presence of hydrogen. For the base metal, the reduction in fatigue life manifested solely in the crack growth phase; hydrogen accelerated the crack growth by a factor of 4. The crack growth rate for the weld metal accelerated by a factor of 8. However, in contrast to the base metal, the weld metal also experienced a reduction of 57% in resistance to crack initiation. Macropores (>500 µm in size) on the notch surface reduced the fatigue life by a factor of 11. Varying the pressure from 70 barg to 150 barg of hydrogen caused no difference in the hydrogen fatigue behavior of the weld metal. The fracture path of the base and weld metal transitioned from transgranular and ductile in nature to a mixed-mode transgranular and intergranular quasi-cleavage fracture. Hydrogen accelerated the crack growth by decreasing the roughness- and plasticity-induced crack closure. The worst case scenario for pipelines was found in the case of weld defects. This work therefore highlights the necessity to re-evaluate pipelines for existing defects before they can be reused for hydrogen transport.
Buckling Analysis of Thin-Walled Circular Shells under Local Axial Compression using Vector Form Intrinsic Finite Element Method
Authors: Ma Wenliang , Sun Zihan , Wu Han , Xu Leige , Zeng Yong , Wang Yanxing , Huang Guangyin
Published: March 2023

The buckling failure of thin-walled circular shells under local axial compression is common in engineering. This study uses the vector form intrinsic finite element (VFIFE) method to investigate the buckling behavior of thin-walled circular shells under local axial compression by introducing a multilinear hardening model, taking into account geometric and material nonlinearity. A buckling analysis program based on the VFIFE method was developed and verified by comparison with experimental results. The buckling mode and postbuckling behavior of thin-walled circular shells were studied by using the verified program. The results show that the VFIFE method with a multilinear hardening model can accurately calculate the buckling load of local axially compressed thin-walled circular shells, and effectively simulate the buckling development process, which offers great advantages in predicting the postbuckling of structures.
Microstructure Evolution, Mechanical Properties, and Corrosion Resistance of Hot Rolled and Annealed Ti-Mo-Ni Alloy
Authors: Liu Kaiyuan , Zhang Hongyu , Xiu Mingkai , Huang Zhirong , Huang Haiguang , Xu Yaoping , Zhou Rongfeng , Xiao Han
Published: March 2023

The effects of annealing time on microstructure, mechanical properties, and corrosion resistance of Ti-0.3Mo-0.8Ni (TA10) titanium alloy hot-rolled sheets are investigated. With the increase in annealing time, the α → β phase transition occurs, and the grain size grows gradually. The strength deteriorates, and elongation increases. The grains grow up, the number of grain boundaries decreases, and intergranular corrosion decreases. With the increase in the annealing time, the corrosion kinetics and thermodynamics are enhanced. When annealed at 780 °C for 2 h, TA10 alloy sheets exhibit the best comprehensive properties, and its microstructure is composed of fine equiaxed α phase. The mechanical properties and corrosion resistance are improved.
Study on the Subcritical Quenching Process of High-Chromium Cast Iron Prepared by Squeeze Casting
Authors: Shan Aili , Xing Shuming , Zhao Biwei , Gao Wenjing , Wu Tong , Sun Hongji
Published: March 2023

In this study, the heat treatment process of a high-chromium cast iron (HCCI) alloy prepared via 128 MPa squeeze casting at different subcritical quenching temperatures was investigated. The results showed that subcritical heat treatment can change the martensite content, the carbide type and size of the squeeze casting HCCI microstructure. Furthermore, it was revealed that the subcritical quenching heat treatment can improve the hardness of the liquid-forged HCCIs. When the quenching temperature increased from 500 °C to 530 °C, the hardness of the alloy increased significantly, reaching a maximum value of 57 HRC. Thereafter, if the temperature continued to rise to 630 °C, the hardness decreased rapidly. For impact toughness, when the quenching temperature was 500 °C, the toughness of alloy increased by 0.9 J/cm2 than that of the no heat treatment group. If the quenching temperature continued to increase, the toughness was reduced. Taking hardness and toughness into account, the microstructure evolution diagram of the optimal process-500 °C subcritical quenching process was established, various characterisation techniques were used to gain insights into the optimal heat treatment process. Compared with high temperature heat treatment, subcritical heat treatment can improve the performance of the HCCI alloy and reduce costs.
Childhood Obesity and the Cryptic Language of the Microbiota: Metabolomics’ Upgrading
Authors: Bosco Alice , Loi Michele , Pinna Giulia , Pintus Roberta , Fanos Vassilios , Dessì Angelica
Published: March 2023

The growing obesity epidemic in childhood is increasingly concerning for the related physical and psychological consequences, with a significant impact on health care costs in both the short and the long term. Nonetheless, the scientific community has not yet completely clarified the complex metabolic mechanisms underlying body weight alterations. In only a small percentage of cases, obesity is the result of endocrine, monogenic, or syndromic causes, while in much more cases, lifestyle plays a crucial role in obesity development. In this context, the pediatric age appears to be of considerable importance as prevention strategies together with early intervention can represent important therapeutic tools not only to counteract the comorbidities that increasingly affect children but also to hinder the persistence of obesity in adulthood. Although evidence in the literature supporting the alteration of the microbiota as a critical factor in the etiology of obesity is abundant, it is not yet fully defined and understood. However, increasingly clear evidence is emerging regarding the existence of differentiated metabolic profiles in obese children, with characteristic metabolites. The identification of specific pathology-related biomarkers and the elucidation of the altered metabolic pathways would therefore be desirable in order to clarify aspects that are still poorly understood, such as the consequences of the interaction between the host, the diet, and the microbiota. In fact, metabolomics can characterize the biological behavior of a specific individual in response to external stimuli, offering not only an eventual effective screening and prevention strategy but also the possibility of evaluating adherence and response to dietary intervention.
Human Milk Lipids and Small Metabolites: Maternal and Microbial Origins
Authors: Stinson Lisa F. , George Alexandra D.
Published: March 2023

Although there has been limited application in the field to date, human milk omics research continues to gain traction. Human milk lipidomics and metabolomics research is particularly important, given the significance of milk lipids and metabolites for infant health. For researchers conducting compositional milk analyses, it is important to consider the origins of these compounds. The current review aims to provide a summary of the existing evidence on the sources of human milk lipids and small metabolites. Here, we describe five major sources of milk lipids and metabolites: de novo synthesis from mammary cells, production by the milk microbiota, dietary consumption, release from non-mammary tissue, and production by the gut microbiota. We synthesize the literature to provide evidence and understanding of these pathways in the context of mammary gland biology. We recommend future research focus areas to elucidate milk lipid and small metabolite synthesis and transport pathways. Better understanding of the origins of human milk lipids and metabolites is important to improve translation of milk omics research, particularly regarding the modulation of these important milk components to improve infant health outcomes.
A Statistical Model for Estimating the Amount of Monthly Global Radiation in the Horizontal Plane
Authors: Tar Károly , Kircsi Andrea Bíróné
Published: March 2023

In addition to dynamic methods, purely statistical models, i.e., findings from the statistical analysis of the existing measured database, also play an important role in predicting the different characteristics of climate elements. In our article, we try to estimate the monthly amount of global radiation in each day of the month. In our previous articles, we presented the sliding-average model developed for estimating the average or amount of a climatic element, measured over a time interval, from within the interval. A version of this model for estimating the end-of-interval sums, the sliding-sum model, was used to estimate the amount of monthly global radiation. After generating the characteristics required for the estimation and analyzing their properties, we examined the errors of the performed estimation. Our model can also help solar energy users create the schedule.
MOSs-String-Triggered Silicon-Controlled Rectifier (MTSCR) ESD Protection Device for 1.8 V Application
Authors: Chen Ruibo , Wei Hao , Liu Hongxia , Hou Fei , Xiang Qi , Du Feibo , Yan Cong , Gao Tianzhi , Liu Zhiwei
Published: March 2023

In this work, a new low voltage-triggered silicon-controlled rectifier named MTSCR is realized in a 65 nm CMOS process for low voltage-integrated circuits electrostatic discharge (ESD) protections. The MTSCR incorporates an external NMOSs-string, which drives the internal NMOS (INMOS) of MTSCR to turn on, and then the INMOS drive SCR structure to turn on. Compared with the existing low trigger voltage (Vt1) ESD component named diodes-string-triggered SCR (DTSCR), the MTSCR can realize the same low Vt1 characteristic but less area penalty of ~44.3% reduction. The results of the transmission line pulsing (TLP) measurement shows that the MTSCR possesses above 2.42 V holding voltage (Vh) and a low Vt1 of ~5.03 V, making it very suitable for the ESD protections for 1.8 V input/output (I/O) ports in CMOS technologies.
Inverse Design of Nanophotonic Devices Using Generative Adversarial Networks with the Sim-NN Model and Self-Attention Mechanism
Authors: Xu Xiaopeng , Li Yu , Du Liuge , Huang Weiping
Published: March 2023

The inverse design method based on a generative adversarial network (GAN) combined with a simulation neural network (sim-NN) and the self-attention mechanism is proposed in order to improve the efficiency of GAN for designing nanophotonic devices. The sim-NN can guide the model to produce more accurate device designs via the spectrum comparison, whereas the self-attention mechanism can help to extract detailed features of the spectrum by exploring their global interconnections. The nanopatterned power splitter with a 2 μm × 2 μm interference region is designed as an example to obtain the average high transmission (>94%) and low back-reflection (<0.5%) over the broad wavelength range of 1200~1650 nm. As compared to other models, this method can produce larger proportions of high figure-of-merit devices with various desired power-splitting ratios.
A Microwave Pressure Sensor Loaded with Complementary Split Ring Resonator for High-Temperature Applications
Authors: Yang Libo , Kou Hairong , Wang Xiaoli , Zhang Xiaoyong , Shang Zhenzhen , Shi Junbing , Zhang Guanghua , Gui Zhiguo
Published: March 2023

A passive substrate integrated waveguide (SIW) sensor based on the complementary split ring resonator (CSRR) is presented for pressure detection in high-temperature environments. The sensor pressure sensing mechanism is described through circuit analysis and the electromagnetic coupling principle. The pressure sensor is modeled in high frequency structure simulator (HFSS), designed through parameter optimization. According to the optimized parameters, the sensor was customized and fabricated on a high temperature co-fired ceramic (HTCC) substrate using the three-dimensional co-fired technology and screen-printing technology. The pressure sensor was tested in the high-temperature pressure furnace and can work stably in the ambient environment of 25−500 °C and 10−300 kPa. The pressure sensitivity is 139.77 kHz/kPa at 25 °C, and with increasing temperature, the sensitivity increases to 191.97 kHz/kPa at 500 °C. The temperature compensation algorithm is proposed to achieve accurate acquisition of pressure signals in a high-temperature environment.
Electrode Based on the MWCNTs and Electropolymerized Thymolphthalein for the Voltammetric Determination of Total Isopropylmethylphenols in Spices
Authors: Chernousova Natalia , Ziyatdinova Guzel
Published: March 2023

Isopropylmethylphenols, namely thymol and carvacrol, are natural phenolic monoterpenoids with a wide spectrum of bioactivity making them applicable in the cosmetic, pharmaceutical, and food industry. The dose-dependent antioxidant properties of isopropylmethylphenols require their quantification in real samples. Glassy carbon electrode (GCE) modified with multi-walled carbon nanotubes (MWCNTs) and electropolymerized thymolphthalein has been developed for the sensitive quantification of isopropylmethylphenols. Conditions of thymolphthalein electropolymerization (monomer concentration, number of cycles, and electrolysis parameters) providing the best response to thymol have been found. Scanning electron microscopy and electrochemical methods confirm the effectivity of the electrode developed. The linear dynamic ranges of 0.050–25 and 25–100 µM for thymol and 0.10–10 and 10–100 µM for carvacrol with detection limits of 0.037 and 0.063 µM, respectively, have been achieved in differential pulse mode in Britton–Robinson buffer pH 2.0. The selectivity of the isopropylmethylphenols response in the presence of typical interferences (inorganic ions, saccharides, ascorbic acid) and other phenolics (caffeic, chlorogenic, gallic and rosmarinic acids, and quercetin) is a significant advantage over other electrochemical methods. The electrode has been used in the analysis of oregano and thyme spices. Total isopropylmethylphenols contents have been evaluated after a single sonication-assisted extraction with methanol.
Study on g-C3N4/BiVO4 Binary Composite Photocatalytic Materials
Authors: Li Pengfei , Hu Yanqiu , Lu Di , Wu Jiang , Lv Yuguang
Published: March 2023

Recent studies have shown that the composite of semiconductor photocatalytic materials and g-C3N4 can effectively inhibit photocatalytic carrier recombination and enhance the adsorption performance of the composite photocatalytic materials, so that the composite photocatalyst has stronger photocatalytic activity. In this paper, three kinds of graphitic carbon nitride photocatalyst g-C3N4 with different morphologies were prepared using the same precursor system by the chemical cracking method. After characterization and application, the sample with the most significant photocatalytic activity was selected and the g-C3N4/BiVO4 heterostructure was synthesized by the simple solvent evaporation method, then the photocatalytic experiment was carried out. The results show that, when the content of BiVO4 in the composite sample is 1%, the photocatalytic activity of RhB was the highest, and the degradation rate could reach 90.4%. The kinetic results showed that the degradation of RhB was consistent with the quasi-primary degradation kinetic model. The results of the photocatalytic cycle experiment show that the photocatalytic performance remains unchanged and stable after four photocatalytic cycles. The existence of a g-C3N4/BiVO4 binary heterojunction was confirmed by UV/Visible diffuse reflection (UV-DRS) and photoluminescence (PL) experiments. Owing to the Z-type charge process between BiVO4 and g-C3N4, efficient carrier separation was achieved, thus enhancing the photocatalytic capacity. This work provides a new idea for the study of heterojunction photocatalytic materials based on g-C3N4.
Experimental Study on Coaxial Waterjet-Assisted Laser Scanning Machining of Nickel-Based Special Alloy
Authors: Wang Jiajia , Wang Bin , Yuan Chenhu , Yu Aibing , Zhang Wenwu , Sheng Liyuan
Published: March 2023

The problems of the recast layer, oxide layer, and heat-affected zone (HAZ) in conventional laser machining seriously impact material properties. Coaxial waterjet-assisted laser scanning machining (CWALSM) can reduce the conduction and accumulation of heat in laser machining by the high specific heat capacity of water and can realize the machining of nickel-based special alloy with almost no thermal damage. With the developed experimental setup, the laser ablation threshold and drilling experiments of the K4002 nickel-based special alloy were carried out. The effects of various factors on the thermal damage thickness were studied with an orthogonal experiment. Experimental results have indicated that the ablation threshold of K4002 nickel-based special alloy by a single pulse is 4.15 J/cm2. The orthogonal experiment results have shown that the effects of each factor on the thermal damage thickness are in the order of laser pulse frequency, waterjet speed, pulse overlap rate, laser pulse energy, and focal plane position. When the laser pulse energy is 0.21 mJ, the laser pulse frequency is 1 kHz, the pulse overlap is 55%, the focal plane position is 1 mm, and the waterjet speed is 6.98 m/s, no thermal damage machining can be achieved. In addition, a comparative experiment with laser drilling in the air was carried out under the same conditions. The results have shown that compared with laser machining in the air, the thermal damage thickness of CWALSM is smaller than 1 μm, and the hole taper is reduced by 106%. There is no accumulation and burr around the hole entrance, and the thermal damage thickness range is 0–0.996 μm. Furthermore, the thermal damage thickness range of laser machining in the air is 0.499–2.394 μm. It has also been found that the thermal damage thickness is greatest at the entrance to the hole, decreasing as the distance from the entrance increases.
Structured Illumination Microscopy of Mitochondrial in Mouse Hepatocytes with an Improved Image Reconstruction Algorithm
Authors: Hu Kai , Hu Xuejuan , He Ting , Liu Jingxin , Liu Shiqian , Zhang Jiaming , Tan Yadan , Yang Xiaokun , Wang Hengliang , Liang Yifei , Ye Jianze
Published: March 2023

In this paper, a structured illumination microscopy (SIM) image reconstruction algorithm combined with notch function (N-SIM) is proposed. This method suppresses the defocus signal in the imaging process by processing the low-frequency signal of the image. The existing super-resolution image reconstruction algorithm produces streak artifacts caused by defocus signal. The experimental results show that the algorithm proposed in our study can well suppress the streak artifacts caused by defocused signals during the imaging process without losing the effective information of the image. The image reconstruction algorithm is used to analyze the mouse hepatocytes, and the image processing tool developed by MATLAB is applied to identify, detect and count the reconstructed images of mitochondria and lipid droplets, respectively. It is found that the mitochondrial activity in oxidative stress induced growth inhibitor 1 (OSGIN1) overexpressed mouse hepatocytes is higher than that in normal cells, and the interaction with lipid droplets is more obvious. This paper provides a reliable subcellular observation platform, which is very meaningful for biomedical work.
A Novel Concept of Electron–Hole Enhancement for Superjunction Reverse-Conducting Insulated Gate Bipolar Transistor with Electron-Blocking Layer
Authors: Wang Zhigang , Yang Chong , Huang Xiaobing
Published: March 2023

A novel snapback-free superjunction reverse-conducting insulated gate bipolar transistor (SJ-RC-IGBT) is proposed and verified by simulation. In the SJ-RC-IGBT, the parasitic P/N/P/N structure as thyristor or Shockley diode demonstrates large conductivity due to an overabundance of carriers for reverse conduction. By preventing electrons from leaking across the N+ region at the collector side, the extra electron-blocking (EB) layer introduced in the SJ-RC-IGBT can dramatically enhance electron–hole pairs in the N/P-pillars. Hence, the SJ-RC-IGBT demonstrates a low on-state voltage (Von). In addition, snapback-free characteristics and a large safe operating area (SOA) are also achieved in the SJ-RC-IGBT. During the turn-off process, a significant amount of electrons are extracted by parasitic MOS across the EB layer at the collector side to decrease the turn-off loss (Eoff). According to the optimized results, the SJ-RC-IGBT with EB layer obtains an ultralow Eoff of 3.9 mJ/cm2 at Von = 1.38 V with 88% and 81% decreases, respectively, compared with the conventional reverse-conducting IGBT (CRC-IGBT) and superjunction IGBT (SJ-IGBT).
Special Issue: “New Methods in Microbial Research 2.0”: Editorial
Authors: Gonzalez Juan M.
Published: March 2023

Today, it is definitively accepted that microorganisms play a central role in the functioning and maintenance of our planet and the organisms thriving on it [...]
Zoonotic Parasites in Playgrounds in Southern Spain: A One Health Approach
Authors: Lorenzo-Rebenaque Laura , López-Fernández Sandra , Marco-Jiménez Francisco , Montoro-Dasi Laura , Marin Clara , Vega Santiago , Martínez-Manzanares Eduardo , Fariñas Fernando
Published: March 2023

Zoonotic parasitic diseases are considered a global threat to public health. In this sense, canines and felines may be infected by different cosmopolitan parasites, with playgrounds serving as an important focus of infection for humans, as well as domestic or wild animals. Knowledge of the epidemiological situation of parasites in animal reservoirs integrated into the environment, identifying the spread pathways, is a key element for an effective response to this threat. Thus, the aim of this study was to assess the frequency of intestinal parasites with zoonotic potential in 120 playgrounds in the Malaga province (Spain). Samples were processed and analysed following standard parasitological procedures. Some 36.7% of playgrounds were parasite-positive with one or more zoonotic parasites. The most common parasites recovered were nematodes (60.0%), followed by protozoan species (33.3%) and cestodes (6.7%). In the parasite-positive playgrounds, Toxocara spp. (17.0 ± 3.5%) and Giardia duodenalis (17.0 ± 3.4%) were the most predominant parasites. In addition, 34.1% of playgrounds were infected with multiple parasites. Our results show a high presence of parasitic forms with zoonotic potential in playgrounds in Malaga, Spain. Due to the close contact between pets and humans in playgrounds, the potential zoonotic risk may increase if prevention and control measures are not designed.
Development of a Droplet Digital PCR to Monitor SARS-CoV-2 Omicron Variant BA.2 in Wastewater Samples
Authors: Van Poelvoorde Laura A. E. , Picalausa Corinne , Gobbo Andrea , Verhaegen Bavo , Lesenfants Marie , Herman Philippe , Van Hoorde Koenraad , Roosens Nancy H. C.
Published: March 2023

Wastewater-based surveillance can be used as a complementary method to other SARS-CoV-2 surveillance systems. It allows the emergence and spread of infections and SARS-CoV-2 variants to be monitored in time and place. This study presents an RT-ddPCR method that targets the T19I amino acid mutation in the spike protein of the SARS-CoV-2 genomes, which is specific to the BA.2 variant (omicron). The T19I assay was evaluated both in silico and in vitro for its inclusivity, sensitivity, and specificity. Moreover, wastewater samples were used as a proof of concept to monitor and quantify the emergence of the BA.2 variant from January until May 2022 in the Brussels-Capital Region which covers a population of more than 1.2 million inhabitants. The in silico analysis showed that more than 99% of the BA.2 genomes could be characterized using the T19I assay. Subsequently, the sensitivity and specificity of the T19I assay were successfully experimentally evaluated. Thanks to our specific method design, the positive signal from the mutant probe and wild-type probe of the T19I assay was measured and the proportion of genomes with the T19I mutation, characteristic of the BA.2 mutant, compared to the entire SARS-CoV-2 population was calculated. The applicability of the proposed RT-ddPCR method was evaluated to monitor and quantify the emergence of the BA.2 variant over time. To validate this assay as a proof of concept, the measurement of the proportion of a specific circulating variant with genomes containing the T19I mutation in comparison to the total viral population was carried out in wastewater samples from wastewater treatment plants in the Brussels-Capital Region in the winter and spring of 2022. This emergence and proportional increase in BA.2 genomes correspond to what was observed in the surveillance using respiratory samples; however, the emergence was observed slightly earlier, which suggests that wastewater sampling could be an early warning system and could be an interesting alternative to extensive human testing.
Abdominal Tuberculosis in Children: A Case Series of Five Patients
Authors: Lancella Laura , Abate Luciana , Cursi Laura , Chiopris Giulia , Nicoletti Laura , Principi Nicola , Villani Alberto , Esposito Susanna
Published: March 2023

Tuberculosis remains (TB) to be one of the most common causes of child morbidity and mortality. Abdominal TB is not frequently diagnosed and, although its incidence is not definitively established, there are data that seem to indicate that it accounts for approximately 1–3% of all pediatric TB cases and for no more than 10% of those with extrapulmonary manifestations. It seems, however, that abdominal TB is significantly more common than usually thought as signs and symptoms are non-specific and may mimic other diseases. The delayed or wrong diagnosis of pediatric abdominal TB can have dramatic consequences as they can lead to untreated TB with miliary dissemination, unnecessary surgery, or dangerous drug therapies. This report describes five cases of abdominal TB diagnosed among 216 pediatric patients admitted for TB in Italy from 2011 to 2021. Our cases evidence that abdominal TB is a complex and potentially very severe disease that, when not appropriately diagnosed, may be associated with severe complications and prolonged anti-TB therapy. Discussion among specialists is crucial to achieve an early diagnosis and to promptly start the anti-TB treatment. Further studies are needed to clarify the appropriate duration of therapy as well as management of MDR abdominal TB cases.
First Epidemiological Survey on the Prevalence and Subtypes Distribution of the Enteric Parasite Blastocystis sp. in Vietnam
Authors: Nguyen Linh Do Ngoc , Gantois Nausicaa , Hoang Trung Thanh , Do Bong Thi , Desramaut Jeremy , Naguib Doaa , Tran Tuan Ngoc , Truong Anh Duc , Even Gaël , Certad Gabriela , Chabé Magali , Viscogliosi Eric
Published: March 2023

Although Blastocystis sp. is the most common enteric protozoan in human stools worldwide, various geographical areas remain to be investigated regarding the frequency and circulation of this parasite. Such is the case of some developing countries in Southeast Asia that exhibit a higher risk for parasitic infections due to unsanitary conditions. While several epidemiological surveys have been conducted, for instance, in Thailand, little or no data are available from neighboring countries, such as Vietnam. Therefore, in order to determine the prevalence and subtype (ST) distribution of Blastocystis sp. and to clarify the transmission of the parasite, the first molecular epidemiological survey ever conducted in this country was performed. For this purpose, a total of 310 stool specimens were collected from patients enrolled at the Family Hospital of Da Nang and then tested for the presence of Blastocystis sp. by real-time Polymerase Chain Reaction (qPCR), followed by subtyping of the isolates. The overall prevalence of the parasite reached 34.5% in this Vietnamese cohort. No significant association was found between parasite infection and gender, age, symptomatic status, contact with animals or source of drinking water. Out of the 107 positive patients, nearly half presented mixed infections. Therefore, some of the corresponding samples were reanalyzed by end-point PCR, followed by PCR products cloning and sequencing. Of the 88 total subtyped isolates, ST3 was predominant, followed by ST10, ST14, ST7, ST1, ST4, ST6 and ST8. Our study was, thus, the first to report ST8, ST10 and ST14 in the Southeast Asian population. The predominance of ST3 within this Vietnamese cohort, coupled with its low intra-ST genetic variability, reflected a large inter-human transmission, while ST1 transmission was suggested to be not only anthroponotic, but also likely correlated to animal or environmental sources. Strikingly, isolates considered of animal origin (ST6-ST8, ST10 and ST14) accounted for more than 50% of the subtyped isolates. These findings improved our knowledge of the epidemiology and circulation of Blastocystis sp. in Southeast Asia, and in particular, in Vietnam, and highlighted both a major burden of the parasite in this country and a high risk of zoonotic transmission, mainly from poultry and livestock.
Editorial: Anaerobic Microorganisms on Mars 2.0
Authors: Gómez Felipe
Published: March 2023

Recent space missions (MSL-Curiosity, Mars2020-Perseverance) have confirmed the historic presence of water on early Mars [...]
Inorganic Carbon Assimilation and Electrosynthesis of Platform Chemicals in Bioelectrochemical Systems (BESs) Inoculated with Clostridium saccharoperbutylacetonicum N1-H4
Authors: Nastro Rosa Anna , Salvian Anna , Kuppam Chandrasekhar , Pasquale Vincenzo , Pietrelli Andrea , Rossa Claudio Avignone
Published: March 2023

The need for greener processes to satisfy the demand of platform chemicals together with the possibility of reusing CO2 from human activities has recently encouraged research on the set-up, optimization, and development of bioelectrochemical systems (BESs) for the electrosynthesis of organic compounds from inorganic carbon (CO2, HCO3−). In the present study, we tested the ability of Clostridium saccharoperbutylacetonicum N1-4 (DSMZ 14923) to produce acetate and D-3-hydroxybutyrate from inorganic carbon present in a CO2:N2 gas mix. At the same time, we tested the ability of a Shewanella oneidensis MR1 and Pseudomonas aeruginosa PA1430/CO1 consortium to provide reducing power to sustain carbon assimilation at the cathode. We tested the performance of three different systems with the same layouts, inocula, and media, but with the application of 1.5 V external voltage, of a 1000 Ω external load, and without any connection between the electrodes or external devices (open circuit voltage, OCV). We compared both CO2 assimilation rate and production of metabolites (formate, acetate 3-D-hydroxybutyrate) in our BESs with the values obtained in non-electrogenic control cultures and estimated the energy used by our BESs to assimilate 1 mol of CO2. Our results showed that C. saccharoperbutylacetonicum NT-1 achieved the maximum CO2 assimilation (95.5%) when the microbial fuel cells (MFCs) were connected to the 1000 Ω external resistor, with the Shewanella/Pseudomonas consortium as the only source of electrons. Furthermore, we detected a shift in the metabolism of C. saccharoperbutylacetonicum NT-1 because of its prolonged activity in BESs. Our results open new perspectives for the utilization of BESs in carbon capture and electrosynthesis of platform chemicals.
Structural Elucidation and Cytotoxic Activity of New Monoterpenoid Indoles from Gelsemium elegans
Authors: Song Da , Liang Jia-Jun , Pu Shi-Biao , Zhang Pan-Pan , Peng Yun-Lin , Liu Xia , Feng Ting-Ting , Pu Xiang , Zhou Ying , Liu Xiong-Wei , Wei Xin
Published: March 2023

Two new monoterpenoid indole alkaloids, gelselegandines F (1) and G (2), were isolated from the aerial parts of Gelsemium elegans. Their structures were elucidated by means of spectroscopic techniques and quantum chemical calculations. The ECD calculations were conducted at the B3LYP/6-311G(d,p) level and NMR calculations were carried out using the Gauge-Including Atomic Orbitals (GIAO) method. Structurally, the two new compounds possessed rare, cage-like, monoterpenoid indole skeletons. All isolated compounds and the total alkaloids extract were tested for cytotoxicity against four different tumor cell lines. The total alkaloids extract of G. elegans exhibited significant antitumor activity with IC50 values ranging from 32.63 to 82.24 ug/mL. In order to discover anticancer leads from the active extraction, both new indole compounds (1–2) were then screened for cytotoxicity. Interestingly, compound 2 showed moderate cytotoxicity against K562 leukemia cells with an IC50 value of 57.02 uM.
Impact of the Fukushima Accident on 3H and 14C Environmental Levels: A Review of Ten Years of Investigation
Authors: Kaizer Jakub , Kontuľ Ivan , Povinec Pavel P.
Published: March 2023

The investigation of the impact of the Fukushima accident is still going on although more than ten years have passed since the disaster. The main goal of this paper was to summarize the results of tritium and radiocarbon determinations in different environmental samples, possibly connected with the Fukushima Dai-ichi Nuclear Power Plant (FDNPP) accident. A document containing compiled data may serve as a solid basis for further research in the selected fields. To accomplish such effort, we went through dozens of relevant published papers, reporting 3H and 14C activity concentrations in precipitations, groundwater, seawater, river systems, tree rings, and, in some more extraordinary samples, such as herbaceous plants or debris from the damaged reactor buildings. As the referenced results would not be obtainable without adequate analytical techniques, the most common methods for routine measurement of tritium and radiocarbon concentrations are discussed as well. We believe that the correct identification of the affected environmental compartments could help quantify the released 3H and 14C activities and track their following fate, which could be especially important for plans to discharge contaminated water from the FDNPP in the upcoming years.
Using a Simple Magnetic Adsorbent for the Preconcentration and Determination of Ga(III) and In(III) by Electrothermal Atomic Absorption Spectrometry
Authors: Vicente-Martínez Yesica , Muñoz-Sandoval María José , Hernández-Córdoba Manuel , López-García Ignacio
Published: March 2023

A solid-phase dispersive microextraction procedure has been developed using ferrite (Fe3O4), an inexpensive magnetic material, as an adsorbent for the separation and subsequent determination of Ga(III) and In(III). The ions were removed from an aqueous solution by adsorption on Fe3O4, which was next easily collected from the medium by the action of a magnet. The analytes were then desorbed using 50 µL of 2 M NaOH or 50 µL of a 4:1 mixture of 0.1 M EDTA and 2 M HNO3 for the determination of Ga(III) or In(III), respectively. The level of the elements in the desorption phase was measured by electrothermal atomic absorption spectrometry (ETAAS) by injecting 10 µL of this phase into the atomizer. The enrichment factor was 163, and detection limits of 0.02 and 0.01 µg L−1 were achieved for Ga(III) and In(III), respectively. The reliability of the procedure has been verified by means of standard reference materials and by means of standard additions. Results are given for waters, soils and samples obtained from various electronic devices. It is of note that the procedure could be the basis for a useful way of recovering these valuable elements from different matrices for reuse.
Physico-Chemical Study of Mn(II), Co(II), Cu(II), Cr(III), and Pd(II) Complexes with Schiff-Base and Aminopyrimidyl Derivatives and Anti-Cancer, Antioxidant, Antimicrobial Applications
Authors: Al-Fakeh Maged S. , Alsikhan Maha A. , Alnawmasi Jawza Sh
Published: March 2023

A new class of biologically active mineral complexes was synthesized by reacting the following metal salts: MnCl2·4H2O, CoCl2·6H2O, CuCl2·2H2O, CrCl3·6H2O, and PdCl2 respectively with 2-amino-4,6-dimethyl pyrimidine (ADMPY) and Schiff’s base resulting from the condensation reaction between benzaldehyde with p-phenylenediamine and 2-hydroxy-1-naphthaldehyde as ligands have been synthesized and characterized on the basis of their CHN, thermal analysis, XRD, SEM and magnetic measurements along with their FT-IR and UV-vis spectra. The scanning electron microscope SEM measurements and the calculations on the powder XRD data indicate the nano-sized nature of the prepared complexes (average size 32–88 nm). The spectral data confirmed the coordinated ligand (HL) via a nitrogen atom of an azomethine group (-C=N-) and phenolic -OH group and NH2-ADMPY ligand with the metal ions. An octahedral geometry for all complexes has been proposed based on magnetic and electronic spectral data except Pd(II) complex, which has a tetrahedral geometry. Molecular modeling was performed for Cu(II) complex using the density functional method DFT/B3LYP to study the structures and the frontier molecular orbitals (HOMO and LUMO). The antioxidant of the complexes was studied using the 2,2-diphenyl-1-picrylhydrazyl (DPPH)-free radical-scavenging assays. The metal complexes were tested in vitro for anticancer activities against two cancer lines A-549 and MRC-5 cells. Cu(II) and Pd(II) complexes showed the highest cytotoxicity effect, comparable to that of other cis-platinum-based drugs. The complexes showed significant activity against fungi and bacteria.
Nobiletin Intake Attenuates Hepatic Lipid Profiling and Oxidative Stress in HFD-Induced Nonalcoholic-Fatty-Liver-Disease Mice
Authors: Ke Zunli , Fan Chaowen , Li Jun , Wang La , Li Haiyang , Tian Weiyi , Yu Qi
Published: March 2023

Nobiletin (NOB) is a naturally occurring compound, commonly found in citrus peel, that shows hepatoprotective and lipid-reducing effects. However, the lipid biomarkers and the potential improvement mechanisms have not been adequately explored. Therefore, we investigated the ameliorative effect and the molecular mechanism of NOB on NAFLD induced by a high-fat diet in mice. The results showed that supplementation with NOB over 12 weeks markedly improved glucose tolerance, serum lipid profiles, inflammatory factors, hepatic steatosis, and oxidative stress. These beneficial effects were mainly related to reduced levels of potential lipid biomarkers including free fatty acids, diacylglycerols, triacylglycerols, and cholesteryl esters according to hepatic lipidomic analysis. Twenty lipids, including DGs and phosphatidylcholines, were identified as potential lipid biomarkers. Furthermore, RT-qPCR and Western blot analysis indicated that NOB inhibited the expression of lipogenesis-related factors such as SREBP-1c, SCD-1, and FAS, and upregulated the expression of lipid oxidation (PPARα) and cholesterol conversion (LXRα, CYP7A1, and CYP27A1) genes as well as antioxidation-related factors (Nucl-Nrf2, NQO1, HO-1, and GCLC), indicating that NOB intake may reduce lipid biosynthesis and increase lipid consumption to improve hepatic steatosis and oxidative stress. This study is beneficial for understanding the ameliorative effects of NOB on NAFLD.
Stereochemical Properties of Two Schiff-Base Transition Metal Complexes and Their Ligand by Using Multiple Chiroptical Spectroscopic Tools and DFT Calculations
Authors: Li Guojie , Li Dan , Alshalalfeh Mutasem , Cheramy Joseph , Zhang Hui , Xu Yunjie
Published: March 2023

Two transition metal complexes were synthesized with Ni(II) and Cu(II) using a tetradentate Schiff-base ligand, (R,R) and (S,S)-N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine. The stereochemical properties of the ligand and the metal complexes were investigated using a combined experimental and theoretical approach. Multiple spectroscopic techniques, which include IR, vibrational circular dichroism (VCD), UV-Vis and electronic circular dichroism (ECD), as well as Raman and the newly discovered ECD-circularly polarized Raman (i.e., eCP-Raman) spectroscopies were utilized. The good agreement achieved between the experimental and simulated IR, VCD, UV-Vis and ECD spectra of the ligand allowed one to identify the presence of three main ligand conformers in solution, thanks, especially to the high VCD sensitivity to the conformations associated with the tertbutyl groups. The helicity of the metal complexes was identified to be M and P for those with the (R,R) and (S,S) ligands, respectively. Furthermore, eCP-Raman measurements were carried out for the two metal complexes under (near) resonance. Their induced solvent chiral Raman features were explained, and the potential application of eCP-Raman was discussed.
Niobium Complexes Supported by Chalcogen-Bridged [OEO]-Type Bis(phenolate) Ligands (E = S, Se): Synthesis, Characterization, and Phenylacetylene Polymerization
Authors: An Jing , Ishii Akihiko , Nakata Norio
Published: March 2023

Trichloro niobium(V) complexes 3 and 4 with the sulfur- or selenium-bridged [OEO]-type bis(phenolate) ligands (E = S, Se) were synthesized and fully characterized on the basis of their NMR spectroscopic data and X-ray crystallographic analysis. In the crystalline state of 4, the [OSeO]-core of the ligand was coordinated to the niobium center in a fac-fashion. The corresponding tribenzyl niobium(V) complexes 5 and 6 were also prepared by the reactions of 3 and 4 with 3 equivalents of PhCH2MgCl in toluene. The X-ray diffraction analysis of 6 revealed that the distorted six-coordinated niobium center incorporated in the [OSeO]-type ligand took a mer-fashion, and one benzyl ligand was coordinated to the niobium center by η2-fashion. Complexes 5 and 6 were tested for the phenylacetylene polymerization that produced poly(phenylacetylene)s (PPAs), oligomers, and triphenylbenzenes (TPBs) depending on the chalcogen atom in the [OEO]-type ligand.
Excited-State Polarizabilities: A Combined Density Functional Theory and Information-Theoretic Approach Study
Authors: Zhao Dongbo , He Xin , Ayers Paul W. , Liu Shubin
Published: March 2023

Accurate and efficient determination of excited-state polarizabilities (α) is an open problem both experimentally and computationally. Following our previous work, (Phys. Chem. Chem. Phys. 2023, 25, 2131−2141), in which we employed simple ground-state (S0) density-related functions from the information-theoretic approach (ITA) to accurately and efficiently evaluate the macromolecular polarizabilities, in this work we aimed to predict the lowest excited-state (S1) polarizabilities. The philosophy is to use density-based functions to depict excited-state polarizabilities. As a proof-of-principle application, employing 2-(2′-hydroxyphenyl)benzimidazole (HBI), its substituents, and some other commonly used ESIPT (excited-state intramolecular proton transfer) fluorophores as model systems, we verified that either with S0 or S1 densities as an input, ITA quantities can be strongly correlated with the excited-state polarizabilities. When transition densities are considered, both S0 and S1 polarizabilities are in good relationships with some ITA quantities. The transferability of the linear regression model is further verified for a series of molecules with little or no similarity to those molecules in the training set. Furthermore, the excitation energies can be predicted based on multivariant linear regression equations of ITA quantities. This study also found that the nature of both the ground-state and excited-state polarizabilities of these species are due to the spatial delocalization of the electron density.