bluuebunny/crossref_metadata_2025 huggingface dataset:
Sniffing Out the Sustainable Future: The Renewability Revolution in Fragrance Chemistry**
Authors: Elterlein Franziska , Bugdahn Nikolas , Kraft Philip
Published: February 2024

In this review, the impact of the transition from today's resource‐wasting petrochemical economy towards a 100/100 renewable and biodegradable future is discussed with respect to the fragrance families: “citrus”, “green”, “fruity”, “floral”, “floriental”, “oriental”, “woody”, “chypre” and “fougère”. After benchmark data on ingredients usage, definitions on biodegradation and sustainability are given. Celebrating the 150th anniversary of synthetic vanillin, its historic synthesis from renewable starting materials serves as introduction. In the grand scheme of things, citrus scents upcycled from the beverages industry, are already an ideal case for 100/100 with new opportunities for artificial essential oils. In the fruity domain, transparent and lactonic ingredients are available in a sustainable manner. However, in the domain of green odorants, there is a lack of green chemistry for important key materials. In the floral family, renewability is more critical than biodegradability, but cost is an issue. Thanks to Ambrox and maltol, florientals and orientals will persist, while woody notes severely lack an Iso E Super replacer. In the chypre genre, patchouli became the new moss, but more musks are increasingly in demand. With their high percentage of linalool and dihydromyrcenol, the construction of fougères could well become a precedent for other families, despite challenges in vetiver and salicylates. Still, the challenges exemplified here create immense opportunities for new perfumery materials.
Binary metallic sulphide‐based nanocomposites with ZnO additives: A dual‐functioning electrode material for energy storage and glucose sensing
Authors: Imran Muhammad , Khan Mahrukh Saif , Afzal Amir Muhammad , Iqbal Muhammad Waqas , Mumtaz Sohail , Habila Mohamed A. , Ahmad Zubair
Published: February 2024

In the contemporary age, there is a growing need for innovative energy storage solutions that integrate the crucial features of supercapacitors and rechargeable batteries to meet evolving energy requirements. Herein, we used the hydrothermal method to synthesize a binary composite electrode material. The addition of ZnO as a doping material significantly enhances the specific capacity of cobalt niobium sulphide (CoNbS) from 538.16 C g−1 to 912.62 C g−1 due to its high conductivity and the presence of redox‐active sites. We have also developed a supercapattery (CoNbS@ZnO//activated carbon [AC]), which has demonstrated outstanding performance with a remarkable specific capacity of 325.92 C g−1 at a current density of 1.5 A g−1. Furthermore, the supercapattery device shows improved energy and power densities, measuring 35 Wh/kg and 2397 W/kg, respectively. After 5000 galvanostatic charging discharging (GCD) cycles, the device shows columbic efficiency (90%) and capacity retention (83%). Additionally, the CoNbS@ZnO//AC hybrid device is used as an electrochemical sensor for glucose detection. The device showed a high sensitivity against the glucose and detected up to a small value. The synthesis of nanomaterials opens up new opportunities to create high‐performance energy related systems.
Discussion around SSRIs and pregnancy still leans toward treatment
Authors: Knopf Alison
Published: February 2024

Last year a seminal study, “Prenatal antidepressant exposure and offspring brain morphologic trajectory” by Dojukan Koc, M.D., and colleagues was published in JAMA Psychiatry. The cohort study results suggested that there may be an association between prenatal selective serotonin reuptake inhibitor (SSRI) exposure and changed brain regions involved in emotional regulation in offspring; however, in some brain regions such as the amygdala, the changes disappeared by age 15. The Koc study included a total of 2,198 mother‐child dyads; compared to nonexposed controls, children prenatally exposed to SSRIs had less cerebral gray matter, and a steeper increase in amygdala volume and gyrus from 7 to 15 years of age. Changes in the amygdala and fusiform gyrus did not persist until early adolescence. Postnatal depression in the mother was associated with a reduced fusiform gyrus in the offspring; prenatal depression was aassociated with a smaller volume of the rostral anterior cingulate gyrus in the child. There was no association of SSRI use before pregnancy with brain outcomes in offspring. The Koc study was notable for its long follow‐up of brain growth, allowing for a focus on trajectory and not just a single image.
Be careful with the use of experts
Authors: Charmatz Marc
Published: February 2024

Students with disabilities often request auxiliary aids and services and academic modifications. Colleges and universities may grant these requests, but if they do not, the institutions may respond by demanding written documentation and/or expert reports. However, this may result in unnecessary, time‐consuming, and costly litigation. Here are some suggestions to avoid lawsuits on these issues.
Giving feedback using ‘Speedback’
Authors: Freebairn‐Smith Laura
Published: February 2024

In this month's column, let's look at giving and receiving feedback, and one innovative and supportive way to engage your team in giving feedback to one another.
Study finds salary gap for STEM doctorates with disabilities
Authors: Lyerly Eric
Published: February 2024

A study analyzing data from over 80,000 U.S. doctoral graduates in science, technology, engineering, and medicine reveals that scientists with disabilities earn approximately $14,000 less annually than scientists without disabilities (https://bit.ly/3SrLlxE). The study, led by researchers at the Johns Hopkins Disability Health Research Center, used data from the 2019 Survey of Doctorate Recipients. The study analyzed information from individuals who obtained research doctorates between 1973 and 2017.
Prospective association of screen time with binge‐eating disorder among adolescents in the United States: The mediating role of depression
Authors: Al‐Shoaibi Abubakr A. A. , Shao Iris Yuefan , Ganson Kyle T. , Lavender Jason M. , Testa Alexander , Kiss Orsolya , He Jinbo , Glidden David V. , Baker Fiona C. , Nagata Jason M.
Published: February 2024

Objective

Screen time has been reported to be associated with binge‐eating disorder (BED) among adolescents in the US; however, potential mediators remain unclear. This study aimed to evaluate depression symptoms as a mediator of the prospective association between screen time and BED.

Method

We utilized data from 9465 children (aged 9–11 years at baseline) from the Adolescent Brain Cognitive Development (ABCD) study (2016–2021). A generalized structural equation model was used to examine the prospective association between average daily screen time at baseline and BED at year 2, adjusting for baseline BED diagnosis, and other potential covariates (e.g., age, sex, and income). Mediation was examined using bias‐corrected (BC) 95% confidence intervals for the indirect effect of baseline screen time on year 2 BED through depression symptoms (change from baseline to year 1).

Results

One hundred and one participants (42.7% male, 49.4% racial/ethnic minority) met the criteria for BED in year 2. Participants were 9.9 years of age on average at baseline, 51.3% identified as male, and 43.1% identified as a racial/ethnic minority. Adjusting for covariates, screen time was prospectively associated with BED (OR = 1.09, 95% CI [1.03, 1.14], p = .005). Depression symptoms (B = .19, BC 95% CI [0.10, 0.28]) partially mediated (9.2%) the prospective association between screen time and BED.

Discussion

Among US adolescents, higher baseline screen time was prospectively associated with BED diagnosis at year 2, and this relationship was partially mediated by increased depression symptoms. Preventive approaches targeting high screen use may have utility for reducing BED risk among adolescents.

Public significance

Among U.S. adolescents, higher screen time was prospectively associated with the incidence of BED. This association was partially mediated by the change in depressive symptoms. Preventive approaches targeting high screen use may have utility for reducing BED risk among adolescents.
Single metabarcoding multiplex captures community‐level freshwater biodiversity and beyond
Authors: Eastwood Niamh , Kissane Stephen , Campbell Lewis , Briscoe Andrew G. , Egeter Bastian , Orsini Luisa
Published: February 2024

Cost‐effective and accurate quantification of biodiversity is important for biodiversity conservation, resource management, and forecasting. Traditional monitoring approaches have relied on direct observations, remote sensing, and mark‐recapture techniques, providing insights into species ecology and the impact of pollution and climate change on indicator species. However, these techniques are typically low throughput, expensive, and can be invasive. In addition, they cannot detect cryptic diversity and are biased toward species that leave identifiable remains. DNA‐based methods, such as metabarcoding or single marker gene assays, have enabled high throughput screening of a wide range of taxonomic groups, including ones without well‐preserved remains. When compared with traditional techniques, these approaches have high throughput, can resolve cryptic diversity, do not require taxonomic specialist skills, and are non‐invasive. However, although they are comparatively cheaper than traditional approaches, they are expensive when applied at the community‐level as single marker assays are amplified and sequenced independently. Multilocus approaches in which multiple gene markers are amplified in a single reaction are desirable to deliver community‐level assessments in a cost‐effective manner. Yet, they are uncommon because of technical challenges that may lead to biases in downstream analyses, such as index hopping and unbalanced representation of taxonomic groups. Here, we developed a highly multiplexed protocol that combines the early pooling of marker genes that target broad taxonomic groups and taxon‐specific markers in a single tube reaction. This step is followed by the pooling of up to 384 samples per locus (N = 15,636 samples) with unique dual‐indexed sequencing adapters in a single sequencing run. This approach dramatically reduces the costs of community‐level biodiversity quantification and lowers the need for input DNA without compromising output quality. We optimized the multiplex assay on lake freshwater sediment samples and benchmarked the assay on samples from other environmental matrices, demonstrating its direct application to the river and marine communities.
Assessing fish diversity in abandoned mining ponds in Madre de Dios, Peru, using environmental DNA
Authors: Timana‐Mendoza Camila , Reyes‐Calderon Alonso , Venail Patrick , Araújo‐Flores Julio M. , Santa‐Maria Mónica C.
Published: February 2024

The Peruvian region of Madre de Dios is a biodiversity hotspot located in the Andean‐Amazon region. Since the 1970s, it has experienced the harsh effects of artisanal and small‐scale gold mining (ASGM), which has transformed the primary forests into numerous small mining ponds left abandoned after extraction. Preliminary surveys indicate that these ponds are being recolonized by surrounding biodiversity. These assessments are typically carried out using traditional methods that are costly, difficult to deploy at multiple locations, and have raised safety concerns. In this context, environmental DNA (eDNA) becomes a useful tool for biodiversity monitoring due to its simplicity for sample collection and performance to identify taxonomic groups. In this study, we evaluated fish biodiversity in two mining ponds created by ASGM along with two nearby pristine lakes, unimpacted by mining operations but also influenced by seasonal flooding. We compared two alternative eDNA processing methods and contrasted our results with historic data from traditional biodiversity monitoring. Both eDNA‐based methods yielded comparable results, varying only in logistic requirements and costs. In total, we detected 85 fish MOTUs (22 at the species level) from 5 orders, 22 families, and 41 genera. Some of the species identified with eDNA were rarely registered by traditional monitoring, and we could identify 6 genera associated with ASGM mining ponds only. A major restriction of the eDNA approach in this location was the insufficient local taxa registered in genomic databases which limited our taxonomic resolution. Despite this limitation, our results indicate that eDNA could be a powerful tool for biodiversity estimations in the Western Amazon, identifying more taxa, with much less time and money invested than traditional monitoring. Our results also confirm that abandoned mining ponds are being recolonized by surrounding ichthyofauna, reaching richness levels above nearby unmined oxbow lakes used as reference.
Circuit equation in power superimposition for position sensor using single‐phase transformer on PMSM power lines
Authors: Kiribuchi Takeshi , Inoue Yukinori , Morimoto Shigeo
Published: February 2024

Permanent magnet synchronous motors (PMSM) are very popular in the industrial market. Recently, robots are installed to compensate for the shortage of labor. Due to the increase in motors, the number of power lines and position sensor cable wiring are increased; this increase in complicated wiring is a problem. As a method to solve these problems, power superimposition technology in the power line of a PMSM is expected to reduce the distribution cables. In this paper, the power superposition technology method, and circuit equations of mounting transformers in power lines are presented and are then verified by experiment, simulation, and linear analysis. The circuit equation is proposed as a three‐phase circuit equation, which is transformed into a dq‐circuit equation by a transformation matrix. The characteristics of the electric angular frequency versus the dq‐axis voltage demonstrated satisfactory results, with errors within 1% in linear analysis and simulation. The linear analysis and experiment are shown to be similar, although there are some errors. The validity of the circuit equations could be demonstrated by the verification results.
Pilot validation of on‐field STR typing and human identity testing by MinION nanopore sequencing
Authors: Luo Yuan , Zhang Jiarong , Ni Ming , Mei Zhusong , Ye Qiao , Guo Bingqian , Fang Longmei , Feng Dongyun , Wang Lu , Yan Jiangwei , Wang Guangyun
Published: February 2024

Nanopore sequencing technology has broad application prospects in forensic medicine due to its small size, portability, fast speed, real‐time result analysis capabilities, single‐molecule sequencing abilities, and simple operation. Here, we demonstrate for the first time that nanopore sequencing platforms can be used to identify individuals in the field. Through scientific and reasonable design, a nanopore MinION MK1B device and other auxiliary devices are integrated into a portable detection box conducive to individual identification at the accident site. Individual identification of 12 samples could be completed within approximately 24 h by jointly detecting 23 short tandem repeat (STR) loci. Through double‐blinded experiments, the genotypes of 49 samples were successfully determined, and the accuracy of the STR genotyping was verified by the gold standard. Specifically, the typing success rate for 1150 genotypes was 95.3%, and the accuracy rate was 86.87%. Although this study focused primarily on demonstrating the feasibility of full‐process testing, it can be optimistically predicted that further improvements in bioinformatics workflows and nanopore sequencing technology will help enhance the feasibility of Oxford Nanopore Technologies equipment for real‐time individual identification at accident sites.
Thermal performance investigation of N‐shape double‐pipe heat exchanger using Al2O3, TiO2, and Fe3O4‐based nanofluids
Authors: Salim Asif , Jihan Jahidul Islam , Das Barun K. , Ahmed Rasel
Published: February 2024

Researchers and engineers are actively working on enhancing the efficiency of heat exchangers in engineering applications by developing novel designs, exploring new materials, and utilizing nanofluids. Three kinds of nanofluids with varying concentrations are investigated in this paper. The objective is to assess the performance of N‐shaped double‐pipe heat exchanger used in thermoelectric power plants. The performance has been evaluated using COMSOL Multiphysics software. The findings show that higher nanofluid concentrations resulted in elevated heat transfer coefficients and improved efficiency of N‐shape double pipe heat exchanger. The analysis revealed that a mere 1% rise in the volume fraction of nanofluids enhanced the efficiency of the heat exchanger on average 23% when compared to the base fluid (water). In comparison to the N‐shape double pipe (Inconel 625) heat exchangers, the N‐shape double pipe (copper) heat exchangers appear to be more efficient. The introduction of nanoparticles has a notable impact on the heat transfer coefficients. Specifically, within an N‐shaped double pipe (copper) heat exchanger, the inclusion of a 1% volume fraction results in a 2.09% enhancement in the heat transfer coefficient for Al2O3/water, a 1.3% improvement for Fe3O4/water, and a 1.15% increase for TiO2/water. It also exposed that adding 1% Al2O3/water led to a significant 0.623% increase in effectiveness, while TiO2/water showed a 0.259% rise, and Fe3O4/water exhibited a 0.375% improvement. Moreover, increasing the Reynolds number enhances the Nusselt number for Al2O3/water and Fe3O4/water nanofluids by 55.22%, and for TiO2/water by 54.60% at a 6% volume concentration, leading to additional increases in exchanger efficiency. Therefore, the augmentation in nanofluid concentration leads to a reduction in the temperature pinch points both at the intake and outflow. This observation suggests that nanofluids exhibit a superior ability compared to conventional fluids when it comes to effectively lowering temperatures.
Efficiency comparison of extraction methods for the determination of 11 of the 16 USEPA priority polycyclic aromatic hydrocarbons in water matrices: Sources of origin and ecological risk assessment
Authors: Ndwabu Sinayo , Malungana Mncedisi , Mahlambi Precious
Published: February 2024

As a result of their toxicity, ease of analysis, and environmental occurrence, 16 polycyclic aromatic hydrocarbons (PAHs) were chosen as priority pollutants by the USEPA. Few studies have been conducted to assess the levels of PAHs in South Africa, especially KwaZulu Natal province, and no work has been done in the selected study area. Therefore, this study aimed to evaluate the levels of such PAHs in river water and wastewater samples and evaluate their source and ecological risk. The status of these PAHs in the South African environment has not been investigated fully, which is a gap this study intended to fill. The PAHs were determined using solid-phase extraction (SPE) and dispersive liquid–liquid microextraction (DLLME) methods. The optimization and validation of these methods indicated that both methods can be used for the extraction of PAHs in liquid samples. This is because of the acceptable %recovery of 72.1%–118% for SPE and 70.7%–88.4% for DLLME with a %RSD less than 10% (indicating high precision) that was obtained. The limit of detection and limit of quantification ranged from 5.0 to 18 ng/L and 6.0–20 ng/L for SPE and from 10 to 44 ng/L and 11 to 63 ng/L for DLLME. These results demonstrated that SPE is more accurate and sensitive than DLLME, which was also confirmed by statistical analysis. The PAH concentration levels ranged from not detected (nd) to 1046 ng/L in river water and nd to 778 ng/L in wastewater samples with naphthalene demonstrating dominance over all other PAHs in both water matrices. The PAHs were found to be of petrogenic origin and posed low ecological risk on average. Integr Environ Assess Manag 2024;20:1598–1610. © 2024 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

Key Points

The river exhibited higher levels of polycyclic aromatic hydrocarbons (PAHs) contamination than the wastewater and naphthalene dominating both environments. The PAHs in the investigated areas are a result of petrogenic sources. All PAHs demonstrated a low ecological risk to the surrounding environment except for acenaphthylene and fluorene in College Road (CR) and anthracene in all the sampling sites. The outcome of this study encourages the need for regulatory control over the PAHs.
Osseointegration of implant surfaces in metabolic syndrome and type‐2 diabetes mellitus
Authors: Bergamo Edmara T. P. , de Oliveira Paula G. F. P. , Campos Tiago M. B. , Bonfante Estevam A. , Tovar Nick , Boczar Daniel , Nayak Vasudev Vivekanand , Coelho Paulo G. , Witek Lukasz
Published: February 2024

This in vivo study evaluated the bone healing response around endosteal implants with varying surface topography/chemistry in a preclinical, large transitional model induced with metabolic syndrome (MS) and type‐2 diabetes mellitus (T2DM). Fifteen Göttingen minipigs were randomly distributed into two groups: (i) control (normal diet, n = 5) and (ii) O/MS (cafeteria diet for obesity induction, n = 10). Following obesity induction, five minipigs from the obese/metabolic syndrome (O/MS) group were further allocated, randomly, into the third experimental group: (iii) T2DM (cafeteria diet + streptozotocin). Implants with different surface topography/chemistry: (i) dual acid‐etched (DAE) and (ii) nano‐hydroxyapatite coating over the DAE surface (NANO), were placed into the right ilium of the subjects and allowed to heal for 4 weeks. Histomorphometric evaluation of bone‐to‐implant contact (%BIC) and bone area fraction occupancy (%BAFO) within implant threads were performed using histomicrographs. Implants with NANO surface presented significantly higher %BIC (~26%) and %BAFO (~35%) relative to implants with DAE surface (%BIC = ~14% and %BAFO = ~28%, p < .025). Data as a function of systemic condition presented significantly higher %BIC (~28%) and %BAFO (~42%) in the control group compared with the metabolically compromised groups (O/MS: %BIC = 14.35% and %BAFO = 26.24%, p < .021; T2DM: %BIC = 17.91% and %BAFO = 26.12%, p < .021) with no significant difference between O/MS and T2DM (p > .05). Statistical evaluation considering both factors demonstrated significantly higher %BIC and %BAFO for the NANO surface relative to DAE implant, independent of systemic condition (p < .05). The gain increase of %BIC and %BAFO for the NANO compared with DAE was more pronounced in O/MS and T2DM subjects. Osseointegration parameters were significantly reduced in metabolically compromised subjects compared with healthy subjects. Nanostructured hydroxyapatite‐coated surfaces improved osseointegration relative to DAE, regardless of systemic condition.
Reinforcement learning for in silico determination of adsorbate—substrate structures
Authors: Lourenço Maicon Pierre , Hostaš Jiří , Bellinger Colin , Tchagang Alain , Salahub Dennis R.
Published: February 2024

Reinforcement learning (RL) methods have helped to define the state of the art in the field of modern artificial intelligence, mostly after the breakthrough involving AlphaGo and the discovery of novel algorithms. In this work, we present a RL method, based on Q‐learning, for the structural determination of adsorbate@substrate models in silico, where the minimization of the energy landscape resulting from adsorbate interactions with a substrate is made by actions on states (translations and rotations) chosen from an agent's policy. The proposed RL method is implemented in an early version of the reinforcement learning software for materials design and discovery (RLMaterial), developed in Python3.x. RLMaterial interfaces with deMon2k, DFTB+, ORCA, and Quantum Espresso codes to compute the adsorbate@substrate energies. The RL method was applied for the structural determination of (i) the amino acid glycine and (ii) 2‐amino‐acetaldehyde, both interacting with a boron nitride (BN) monolayer, (iii) host‐guest interactions between phenylboronic acid and β‐cyclodextrin and (iv) ammonia on naphthalene. Density functional tight binding calculations were used to build the complex search surfaces with a reasonably low computational cost for systems (i)–(iii) and DFT for system (iv). Artificial neural network and gradient boosting regression techniques were employed to approximate the Q‐matrix or Q‐table for better decision making (policy) on next actions. Finally, we have developed a transfer‐learning protocol within the RL framework that allows learning from one chemical system and transferring the experience to another, as well as from different DFT or DFTB levels.
Racism and violence in policing: Perspectives from a juvenile prison
Authors: Fix Rebecca L.
Published: February 2024

Following recent events involving racism and violence in policing, the current study sought to understand factors associated with support for related social movements and worries about personal, family, and peer safety. Data were from 78 currently incarcerated young people (M = 16.5 years; 31% Black) and 20 juvenile prison staff (M = 40.3 years; 72% Black) via online surveys. A comparable proportion of young people (47.3%) and staff (47.4%) reported participating in the Black Lives Matter movement. Among young people, prior experiences with police were significantly associated with support for social movements and worries about safety concerning racism and violence in policing. Among staff, race, ethnicity, sexual orientation, and racial and ethnic identity were significantly associated with social movement support and worries about safety. Civic education and interventions to promote racial and ethnic identity may promote support for systemic change and buffer against worries about racism and violence in policing.
Enhancing bioelectricity generation from wastewater in microbial fuel cells using carbon nanomaterials
Authors: Attia Yasser A , Samer Mohamed , Mohamed Mahmoud SM , Salah Mohamed , Moustafa Elshaimaa , Hameed R M Abdel , Elsayed Hassan , Abdelsalam Essam M
Published: February 2024

BACKGROUND

Microbial fuel cells (MFCs) offer a promising approach for treating wastewater and generating electrical energy simultaneously. However, their implementation in wastewater treatment plants is hindered by the limited electricity generation, often attributed to the electrolyte's high resistance. This study aimed to improve bioelectricity generation in MFCs by adding nanomaterials to the electrolyte to enhance conductivity.

RESULTS

Three types of nanomaterials – carbon nanotubes (CNTs), graphitic carbon nitride (g‐C3N4), and reduced graphene oxide (r‐GO) – were synthesized and addition to the electrolyte at a concentration of 50 mg in 1.5 L. MFC performance was evaluated, employed a hydraulic retention time (HRT) of 140 h, and compared to a control with no nanomaterials added. The addition of nanomaterials significantly improved MFC performance. Compared to the control, the MFCs with CNTs, g‐C3N4, and r‐GO exhibited higher voltage: 1.301 V (CNTs), 1.286 V (g‐C3N4), 1.280 V (r‐GO) versus 0.570 V (control); increased power density: 14.11 mW m−3 (CNTs), 13.78 mW m−3 (g‐C3N4), 13.66 mW m−3 (r‐GO) versus 2.71 mW m−3 (control); enhanced areal power density: 21.06 mW m−2 (CNTs), 20.57 mW m−2 (g‐C3N4), 20.39 mW m−2 (r‐GO) versus 4.04 mW m−2 (control); and improved coulombic efficiency: 19.43% (CNTs), 19.19% (g‐C3N4), 19.11% (r‐GO) versus 8.54% (control).

CONCLUSION

Incorporating nanomaterials into the MFC electrolyte significantly increased bioelectricity generation by 5.21 times and coulombic efficiency by 2.28 times compared to the control. This improvement is attributed to the high specific surface area of the nanomaterials, which facilitates the adhesion and growth of microorganisms around the anode, enhancing direct electron transfer. © 2024 Society of Chemical Industry (SCI).
Synthesis and biological evaluation of 3‐hydroxypyrazoles as aquaporin 9 inhibitors
Authors: Selvi Subramani , Kannan Arun , Jayaraj John M. , Selvi Thangavel , Karthikeyan Muthusamy , Prahalathan Chidambaram , Sampath Natarajan , Srinivasan Kannupal
Published: February 2024

A series of 3‐hydroxypyrazole derivatives have been synthesized by a base‐promoted reaction of nitro‐substituted donor–acceptor cyclopropanes with hydrazines. The synthesized compounds have been investigated for their ability to inhibit aquaporin 9 (AQP9) in rat Leydig cells (LC‐540). The protein data bank structure for AQP9 was predicted using homology modeling; and the protein–ligand interaction for the synthesized hydroxyl pyrazole derivatives were analyzed using molecular modeling and docking studies. The results of in silico analyses showed that compound 5b had a higher binding affinity with AQP9 than other compounds. Further, in vitro studies conducted in LC‐540 cells confirmed that compound 5b effectively inhibits AQP9. Hence, compound 5b may be used as an inhibitor in enhancing our understanding of AQP9 function, and in the treatment of several diseases.
Understanding the variation in offender behaviour and risk factors in cases of homicide perpetrated against the UK homeless population between the years 2000 and 2022
Authors: Ross Ellie , Synnott John , Ioannou Maria , Ashton Sally‐Ann , Tunsi Abdulmenam
Published: February 2024

The homeless population remains understudied, and their victimisation is unreported, especially homeless victims of homicide. With the number of people faced with homelessness increasing, the heightened rates of victimisation for violent crimes throughout this population becomes even more concerning. A review of the literature revealed an absence of meaningful research beyond basic descriptive statistics of rates of homeless homicide in the UK. The current study explores the behavioural variation and risk factors associated with the victims and perpetrators of 19 cases of homeless homicide in the UK. A content analysis was first conducted to derive 22 case variables. Smallest Space Analysis was then employed to analyse the cases according to the variables selected. The themes produced in the SSA output were comparable to that of Canter's Victim Role Model: Victim as Object, Victim as Person and Victim as Vehicle. The current study lays a foundation for developing an understanding of the variation in behaviour across cases of homeless homicide and may serve to inform preventative measures.
Investigation on improvement of enantioseparation based on clindamycin phosphate by chiral deep eutectic solvents in capillary electrophoresis
Authors: Ma Xiaofei , Fan Zhenyu , Tang Zhiyuan , Cai Liangliang
Published: February 2024

In this work, the potential synergetic effect between deep eutectic solvents and an antibiotic chiral selector (clindamycin phosphate) for enantioseparation was investigated in capillary electrophoresis. We synthesized a series of deep eutectic solvents with choline chloride as hydrogen bond acceptor and three α‐hydroxyl acids (l‐lactic acid, l‐malic acid, and l‐tartaric acid) as hydrogen bond donors. Compared to the single clindamycin phosphate separation system, significantly improved separations of model drugs were observed in several synergetic systems. Compared to deep eutectic solvents with a single hydrogen bond donor, deep eutectic solvents with mixed‐type hydrogen bond donors were superior. The influences of several key parameters including the type and proportion of organic modifier, clindamycin phosphate concentrations, deep eutectic solvents concentrations, and buffer pH were investigated in detail. The mechanism of the enhanced separations in deep eutectic solvents systems was investigated by means of electroosmotic flow analysis, nuclear magnetic resonance analysis, and molecular modeling. It was the first time that the synergetic systems between deep eutectic solvents and antibiotic chiral selector were established in capillary electrophoresis, and these deep eutectic solvents were demonstrated to have a good synergetic effect with clindamycin phosphate for enantioseparation.
Synergistic effects of anthropogenic disturbances on giant pandas
Authors: Pu Guanhua , Feng Bin , Huang Yaohua , Zhang Jindong , Yin Huakang , Yang Shuai , Fu Liqiang , Zhou Caiquan , Bai Wenke
Published: February 2024

Livestock grazing and the collection of bamboo shoots are the main threats to giant panda (Ailuropoda melanoleuca) habitat in the Liangshan Mountains in China. It is important to clarify the effect of these disturbances to the giant panda to formulate targeted management policies. Based on species distribution models and daily activity models, we investigated the effects of livestock grazing and bamboo shoot collection on giant pandas from May 2021 to July 2022. Our results indicated the giant panda's suitable habitat in the reserve covered 51.83 km2(15.02% of the reserve area). Grazing and bamboo shoot collection led to losses of 19.08 km2and 7.68 km2of suitable habitat, respectively. Together, the 2 activities resulted in a loss of 28.35 km2of suitable habitat, which was more than half of the area of panda habitat. The areas of suitable habitat for giant pandas significantly overlapped with the areas affected by both disturbances. Giant pandas did not show significant differences in daily activity rhythms under a single disturbance, but the daily activity rhythms of giant pandas differed when we compared the area combining the 2 disturbances with the undisturbed area. Our study reveals that the anthropogenic disturbances in the reserve have varying effects on the suitable habitat range and daily activity rhythm of giant pandas and evidence of a synergistic effect. Therefore, when formulating relevant conservation policies, it is important to fully evaluate the extent and characteristics of anthropogenic disturbances in shaping the population distribution and habitat preferences of the giant panda and other wildlife to enhance the efficacy of conservation management practices.
A framework for quantification and integration of green development of cultivated land in China: From the perspective of adaptability‐vitality‐resistance
Authors: Niu Shandong , Lyu Xiao , Gu Guozheng , Peng Wenlong , Wang Yanan , Xue Ping , Solodovnikov Sergey Yu
Published: February 2024

Exploring the green development of cultivated land (GDCL) and solving the problem of “high consumption and high pollution” caused by the traditional model are of great significance for achieving sustainable use of cultivated land and green agricultural growth. However, the existing consensus on action lacks theoretical support and quantitative analysis. To this end, the objective of this study was to develop a new multidimensional framework considering as an integrated capacity to adaptability‐vitality‐resistance (A‐V‐R) assess GDCL according to the essential requirement of green development. The analytical framework and evaluation system proposed in this study are expected to provide empirical support for the green transition of cultivated land use in China or worldwide. This study determines spatiotemporal differentiation and influencing mechanism of GDCL in China from 2000 to 2020. The results demonstrated that the GDCL level of China was low and characterized by a W‐shaped fluctuation. The regional difference in GDCL is greater than that within the regions and the evolution of different types of regions showed significant path dependence and spatiotemporal inertia. The reason behind this phenomenon is that agricultural technology and socioeconomic development factors such as agricultural mechanization level, urban–rural income equity index and extensively influenced GDCL in different regions. The interaction among driving factors forms a complex multi‐resultant force to construct a comprehensive action mechanism at the GDCL level driven by demand, economy, technology, and ecology. Therefore, this study suggests coordinating the relationship between technological progress, technological diffusion, agricultural total factor productivity, and the GDCL path, in order to effectively reduce the internal and external contradictions of GDCL.
Dichromatic Soliton‐Molecule Compounds in Mode‐Locked Fiber Lasers
Authors: Cui Yudong , Yao Xiankun , Hao Xiang , Yang Qing , Chen Daru , Zhang Yusheng , Liu Xu , Sun Zhipei , Malomed Boris A.
Published: February 2024

Soliton “molecules”, i.e., bound states of two or several solitons, represent a fundamental concept, which manifests itself in various nonlinear systems. They are dynamically similar to chemical molecules, attracting great interest to fundamental studies and offering potential applications (such as multilevel encoding of optical data). Here, the study demonstrates a novel dichromatic soliton‐molecule compounds (DSMC) built as a hybrid bound state of multiple bound soliton pulses carried by two wavelengths in a fiber laser. The DSMCs are maintained by two different binding mechanisms, viz., the self‐phase modulation (SPM) interaction between temporal solitons at the same wavelength, mediated by their tails, and the cross‐phase modulation (XPM) interaction between solitons at different wavelengths. They also exhibit unique temporal and spectral vibration profiles. Both static DSMCs and ones with robust internal vibrations are generated experimentally in the fiber laser, and numerically as solutions of the corresponding dissipative nonlinear model. The findings reported here expand the concept of soliton molecules and further promote their similarity to chemical molecules.
Low carbon cities pilot, executive environmental cognition, and enterprise green technology innovation
Authors: Xiao Deheng , Dong Shuman , Wang Jianlong
Published: February 2024

The potential of the low carbon city pilot (LCCP) to foster enterprise green technology innovation (EGTI) is contingent upon enhancing the quality of urban development, improving the ecological environment, and ultimately achieving the objective of “double carbon” reduction. Due to this, this article uses data from Chinese A‐share listed businesses in Shanghai and Shenzhen from 2009 to 2021 to investigate the effect of LCCP on EGTI. It is found that LCCP significantly contributes to EGTI, and a number of robustness tests later, this finding remains valid. The mechanism analysis confirms that LCCP promotes EGTI by weakening economic policy uncertainty and increasing firms' R&D investment. Through the heterogeneity analysis, this paper explores that optimizing corporate staff structure, increasing media attention, and increasing government subsidies are effective paths to promote EGTI development with LCCP. The moderating effect confirms that executives' environmental cognition plays a positive moderating role between LCCP and EGTI. This paper enriches the related research on the evaluation of the effect of low‐carbon pilots and provides important policy insights for promoting the development of corporate green transformation.
Discrete null field equation methods for solving Laplace's equation: Boundary layer computations
Authors: Zhang Li‐Ping , Li Zi‐Cai , Lee Ming‐Gong , Huang Hung‐Tsai
Published: February 2024

Consider Dirichlet problems of Laplace's equation in a bounded simply‐connected domain , and use the null field equation (NFE) of Green's representation formulation, where the source nodes are located on a pseudo‐boundary outside but not close to its boundary . Simple algorithms are proposed in this article by using the central rule for the NFE, and the normal derivatives of the solutions on the boundary can be easily obtained. These algorithms are called the discrete null field equation method (DNFEM) because the collocation equations are, indeed, the direct discrete form of the NFE. The bounds of the condition number are like those by the method of fundamental solutions (MFS) yielding the exponential growth as the number of unknowns increases. One trouble of the DNFEM is the near singularity of integrations for the solutions in boundary layers in Green's representation formulation. The traditional BEM also suffers from the same trouble. To deal with the near singularity, quadrature by expansions and the sinh transformation are often used. To handle this trouble, however, we develop two kinds of new techniques: (I) the interpolation techniques by Taylor's formulas with piecewise ‐degree polynomials and the Fourier series, and (II) the mini‐rules of integrals, such as the mini‐Simpson's and the mini‐Gaussian rules. Error analysis is made for technique I to achieve optimal convergence rates. Numerical experiments are carried out for disk domains to support the theoretical analysis made. The numerical performance of the DNFEM is excellent for disk domains to compete with the MFS. The errors with can be obtained by combination algorithms, which are satisfactory for most engineering problems. In summary, the new simple DNFEM is based on the NFE, which is different from the boundary element method (BEM). The theoretical basis in error and stability has been established in this article. One trouble in seeking the numerical solutions in boundary layers has been handled well; this is also an important contribution to the BEM. Besides, numerical experiments are encouraging. Hence the DNFEM is promising, and it may become a new boundary method for scientific/engineering computing.
New quadratic/serendipity finite volume element solutions on arbitrary triangular/quadrilateral meshes
Authors: Zhou Yanhui
Published: February 2024

By postprocessing quadratic and eight‐node serendipity finite element solutions on arbitrary triangular and quadrilateral meshes, we obtain new quadratic/serendipity finite volume element solutions for solving anisotropic diffusion equations. The postprocessing procedure is implemented in each element independently, and we only need to solve a 6‐by‐6 (resp. 8‐by‐8) local linear algebraic system for triangular (resp. quadrilateral) element. The novelty of this paper is that, by designing some new quadratic dual meshes, and adding six/eight special constructed element‐wise bubble functions to quadratic/serendipity finite element solutions, we prove that the postprocessed solutions satisfy local conservation property on the new dual meshes. In particular, for any full anisotropic diffusion tensor, arbitrary triangular and quadrilateral meshes, we present a general framework to prove the existence and uniqueness of new quadratic/serendipity finite volume element solutions, which is better than some existing ones. That is, the existing theoretical results are improved, especially we extend the traditional rectangular assumption to arbitrary convex quadrilateral mesh. As a byproduct, we also prove that the new solutions converge to exact solution with optimal convergence rates under and norms on primal arbitrary triangular/quasi–parallelogram meshes. Finally, several numerical examples are carried out to validate the theoretical findings.
Predicting animal abundance through local ecological knowledge: An internal validation using consensus analysis
Authors: Braga‐Pereira Franciany , Mayor Pedro , Morcatty Thais Q. , Pérez‐Peña Pedro E. , Bowler Mark T. , de Mattos Vieira Marina A. R. , Alves Rômulo Romeu da Nóbrega , Fa Julia E. , Peres Carlos A. , Tavares Aline S. , Mere‐Roncal Carla , González‐Crespo Carlos , Bertsch Carolina , Rodriguez Claudia Ramos , Bardales‐Alvites Claudio , von Muhlen Eduardo , Paim Fernanda Pozzan , Tamayo Jhancy Segura , Valsecchi João , Gonçalves Jonas , Torres‐Oyarce Leon , Lemos Lísley Pereira , Gilmore Michael P. , Correa Miguel Antúnez , Perez Natalia Carolina Angulo , Puertas Pablo , El Bizri Hani R.
Published: February 2024

Given the ongoing environmental degradation from local to global scales, it is fundamental to develop more efficient means of gathering data on species and ecosystems. Local ecological knowledge, in which local communities can consistently provide information on the status of animal species over time, has been shown to be effective. Several studies demonstrate that data gathered using local ecological knowledge (LEK)‐based methods are comparable with data obtained from conventional methods (such as line transects and camera traps).

Here, we employ a consensus analysis to validate and evaluate the accuracy of interview data on LEK. Additionally, we investigate the influence of social and bioecological variables on enhancing data quality. We interviewed 323 persons in 19 villages in the Western and Central Amazon to determine the level of consensus on the abundance of hunted and non‐hunted forest species. These villages varied in size, socio‐economic characteristics and in the experience with wildlife of their dwellers. Interviewees estimated the relative abundance of 101 species with a broad spectrum of bioecological characteristics using a four‐point Likert scale.

High consensus was found for species population abundance in all sampled villages and for 79.6% of interviewees. The village consensus of all species abundance pooled was negatively correlated with village population size. The consensus level was high regardless of the interviewees' hunting experience. Species that are more frequently hunted or are more apparent had greater consensus values; only two species presented a low consensus level, which are rare and solitary species.

We show in our study in the Amazon that information gathered by local peoples, Indigenous as well as non‐Indigenous, can be useful in understanding the status of animal species found within their environment. The high level of cultural consensus we describe likely arises from knowledge sharing and the strong connection between the persons interviewed and the forest. We suggest that consensus analysis can be used to validate LEK‐generated data instead of comparing these types of data with information obtained by conventional methods.

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Fabrication and investigation of graphene‐loaded triiron tetraoxide/silicone‐rubber electromagnetic shielding composites based on static magnetic‐field–induced orientation
Authors: Guo Jiaxing , Zhou Qin , Xie Jikai , Yin Hong , Hao Zhi , Luo Zhu , Yang Le , Zhang Cheng
Published: February 2024

Graphene‐loaded triiron tetraoxide/silicone‐rubber composites containing highly loaded graphene‐loaded Fe3O4 (Fe3O4@RGO) particles were fabricated using static magnetic field‐induced alignment. The Fe3O4@RGO particles were characterized through Fourier transform infrared, x‐ray diffraction, SEM, and XPS analyses. Subsequently, the influence of added material and the strength of the magnetic field on the alignment distribution of the filler were examined through a synergistic combination of SEM and Raman spectroscopy. The electrical conductivity and electromagnetic shielding properties of the composites were assessed. The electrical conductivity of the composites increased with increasing filler addition, the 25 wt% filler mixture had the fastest curing rate and the maximum torque, and the continued increase in filler addition led to the occurrence of many defects. Concurrently, the alignment distribution of the filler progressively enhances with the augmentation of magnetic field strength. The composites synthesized at 180 mT exhibit the most substantial alignment, facilitating the establishment of effective conductive pathways. This results in a notable enhancement in electromagnetic shielding effectiveness, approximately 400% greater than that of pure silicone rubber and around 40% higher than that of non‐aligned composites. This approach introduces a novel concept for shaping the structural design of flexible electromagnetic shielding materials.

Highlights

Highly loaded Fe3O4@RGO was prepared by self‐assembly.

The continuous phase structure of Fe3O4@RGO oriented was assessed.

Fully oriented Fe3O4@RGO promotes the formation of conductive pathways.

Fully oriented Fe3O4@RGO reduced the SER by 13% and increased the SEA by 67%.