bluuebunny/crossref_metadata_2025 huggingface dataset:
A Review of Methods for Long‐Term Electric Load Forecasting
Authors: Aditya Thangjam , Jaipuria Sanjita , Kumar Dadabada Pradeep
Published: December 2024

Long‐term load forecasting (LTLF) has been a fundamental least‐cost planning tool for electric utilities. In the past, utilities were monopolies and paid less attention to uncertainty in their LTLF methodologies. Nowadays, such casualness is pricey in competitive markets because utilities need to examine the financial implications of forecast uncertainty for survival. Hence, the aim of this paper is to critique the LTLF research trends with a focus on uncertainty quantification (UQ). For this purpose, we examined 40 LTLF articles published between January 2003 and February 2021. We found that UQ is a nascent area of LTLF research. Our review found two approaches to UQ in LTLF: probabilistic scenario analysis and direct probabilistic methods. The former approach is more helpful to risk analysts but has major caveats in addressing interdependencies of socioeconomic and climate scenarios. We identified very little LTLF research that examines uncertainties associated with climate extremes, distributed generation resources, and demand‐side management. Lastly, there is enormous potential for mitigating financial risks by embracing asymmetric cost functions in LTLF research. Future LTLF researchers can work on these identified gaps to help utilities in risk estimation, cost‐reliability balancing, and estimation of reserve margin under climate change.
Impact of Relative Permeability Hysteresis on CO2 Storage in Saline Aquifers
Authors: Khoramian Reza , Salaudeen Ibraheem , Pourafshary Peyman , Riazi Masoud , Kharrat Riyaz
Published: December 2024

The urgent challenge of climate change, driven by rising carbon emissions, necessitates innovative strategies for carbon capture and storage (CCS). This study examines the impact of hysteresis in relative permeability on CO2 entrapment efficiency within saline aquifers, known for their significant storage capabilities. An aquifer model was analyzed through numerical simulation by varying hysteresis values from 0.2 to 0.5 to evaluate their impact on CO2 plume behavior, retention during water‐alternating‐gas (WAG) injection, and plume morphology. The CO2 plume exhibits a funnel‐shaped configuration at low hysteresis with a narrow, pointed base, indicating a concentrated upward migration trajectory. In contrast, a hysteresis value of 0.5 results in diminished gas movement toward the upper aquifer, transforming the plume into a more oval shape. Results from the land trapping model further support our findings, revealing an inverse relationship where increased hysteresis enhances residual CO2 entrapment, reflected in trapping coefficient values ranging from 0.5 to 4. This underscores the model's efficacy in verifying gas trapping efficiency and safety during sequestration. Moreover, increased water flow generates stronger forces, pushing CO2 into narrower pore spaces, where it becomes trapped. Our findings indicate that increased hysteresis enhances CO2 retention by limiting vertical migration and significantly influences plume geometry, promoting stable and predictable distribution patterns. At higher hysteresis values, CO2 migration is significantly restricted, resulting in near‐complete immobilization of the injected gas. This research highlights hysteresis's critical role in refining injection methodologies and enhancing plume stability for long‐term CO2 storage. © 2024 Society of Chemical Industry and John Wiley & Sons, Ltd.
Postmortem genetic diagnosis of hereditary leiomyomatosis and renal cell carcinoma syndrome: Identification through normal kidney tissues after surgical removal
Authors: Suzuki Shodai , Yamamoto Yoshiyuki , Kato Taigo , Hatano Koji , Matsui Takahiro , Hashimoto Kae , Miyamura Takako , Nagashima Yoji , Nonomura Norio , Kawashima Atsunari
Published: December 2024

Introduction

Hereditary leiomyomatosis and renal cell cancer is an autosomal dominant disorder caused by germline mutations in the FH gene and is associated with poor prognosis of aggressive renal cancer.

Case presentation

A 33‐year‐old man presented with asymptomatic gross hematuria and was diagnosed with a right renal tumor, cT3aN1M0. He underwent open radical nephrectomy, and pathological examination revealed papillary renal cell carcinoma. Despite aggressive treatment, the disease progressed rapidly, and discussions regarding genetic testing could not take place during his lifetime, although circulating‐tumor DNA showed mutation of FH gene. After death, his wife requested postmortem genetic testing. Genetic analysis using DNA extracted from normal kidney tissues in surgical specimens (blood sample absence) confirmed the FH mutation, and hereditary leiomyomatosis and renal cell cancer was diagnosed posthumously.

Conclusion

This highlights the utility of postmortem genetic testing of surgical specimens to diagnose hereditary leiomyomatosis and renal cell cancer and provide genetic counseling to families, despite limitations during the patient's life.
Effectiveness of intermittent cash incentives to increase step counts
Authors: Batchelder Sydney R. , Devoto Amanda , Washington Wendy Donlin
Published: December 2024

Only 25% of adults meet both aerobic and strength training recommendations for physical activity. Contingency management interventions have been used to increase physical activity; however, they may be cost prohibitive. Intermittently provided incentives lower costs and are effective for various health behaviors. The present study investigated whether intermittent cash incentives can increase physical activity (step counts). The researchers used a reversal design with 21 participants, and goals during the intervention were set using a percentile schedule. Contingent on meeting goals, participants could earn the opportunity to draw tickets that corresponded to either no cash or cash incentives. Step counts significantly increased from baseline to the intervention phase. Overall, intermittent cash incentives may be a viable and cost‐effective approach to promoting health behavior.
Construction of Candida albicans pRB895‐SAP2‐SC5314 With SAP2 High Expression and Its Effects on Adhesion
Authors: Xue Lan , Yang Lu , Zhao Bingqian , Feng Wenli , Yang Jing , Ma Yan
Published: December 2024

Background

SAP2 is closely associated with the pathogenicity and drug resistance of Candida albicans (C. albicans). Our study aimed to construct C. albicans with SAP2 overexpression (pRB895‐SAP2‐SC5314) to explore the influence of SAP2 on the adhesion of C. albicans and predict the interaction between magnolol and Sap2 by molecular docking.

Methods

The recombinant plasmid pRB895‐SAP2 with high SAP2 expression was prepared using a plasmid extraction kit and transformed into C. albicans strain SC5314 using an improved lithium acetate conversion method to construct PRB895‐SAP2‐SC5314. Quantitative reverse transcription polymerase chain reaction (qRT‐PCR) was performed to detect the expression of adhesion‐related genes in the different strains. Molecular docking and visual analysis of magnolol and Sap2 were performed using the CB‐DOCK2 platform.

Results

Compared with the control SC5341 and SC5341 transfected with pRB895, SAP2 expression was significantly higher in the pRB895‐SAP2‐SC5314 strain (p < 0.05). Based on the sequencing and mapping results, the pRB895‐SAP2‐SC5314 strain was successfully prepared. SAP2 overexpression significantly downregulated ALS1 expression (p < 0.05), whereas ALS3, TEC1, HOG1, PHR1, and TUP1 expression was downregulated in C. albicans (p < 0.05). The optimal docking result for magnolol and Sap2 protein was −8.1 kcal/mol of vina score, which was considered good docking.

Conclusions

SAP2 overexpression may strengthen the adhesion and pathogenicity of C. albicans, and magnolol may act as an Sap2 inhibitor that affects the adhesion of C. albicans.
Production Parameters and Carbon Footprint in Small‐Scale Dairy Farming in Boyacá, Colombia
Authors: Corredor Camargo Emma Sofía , Serna Mendoza Ciro Alfonso , Páez Barón Edwin Manuel
Published: December 2024

Cattle farming is a significant contributor to greenhouse gas emissions and plays a crucial role in food security, especially in developing countries and in systems that use part of the production for self‐consumption. However, it is not completely clear how production processes impact on the environment. This research aimed to analyse the generation of greenhouse gasses and associated production factors on small‐scale dairy farms in order to identify management strategies to reduce emissions. A quantitative, nonexperimental and correlational study was carried out on 50 farms whose main objective is milk production, located in three municipalities in the central area of the Department of Boyacá. The variables calculated included the percentage of milking females, efficiency per area, per year, per female, and animal load. Greenhouse gas emissions were estimated using life cycle assessment. Data were processed using RStudio, applying the Shapiro–Wilk test, Spearman correlation coefficient, and multiple linear regression analysis for the variables amenable to modeling. The results indicated the total carbon footprint ( 1.8 kg CO2eq/L), EFCF ( 0.06 kg CO2eq/L), MMCF ( 0.21 kg CO2eq/L), and SNFCF ( 1.53 kg CO2eq/L), with SNFCF identified as the major contributor to total CF. The variables of the percentage of cows in milking ( 41.3%) and stocking rate ( 2.37 GLU/ha) exhibited the highest correlation coefficients, particularly with EFCF and SNFCF. The potential for enhancing the environmental sustainability of dairy production through the adoption of efficient management practices concerning manure, soil, and animal components is evident.
In Situ Photochemical Synthesis of Environmentally Friendly Conductive Nano‐Ink
Authors: Konar Melisa , Turgut Him Ebru , Guler Nergis , Balci Ezgi Nur , Arsu Nergis
Published: December 2024

Advancements in nanotechnology allow for the development of in situ or ex situ prepared nanocoatings and nanoparticles which are valuable in the electronics industry due to their intrinsic physical and chemical properties. Printed electronics, intended for applications such as flexible displays and smart labels, offer a distinct advantage over conventional products. The primary components used in printed electronics are the nano‐ink containing polymer matrix and the substrate for printing. Gold, silver, and copper are commonly chosen for these processes because of their excellent electrical conductivity. In the electronics industry, it is well‐known that producing conductive ink typically requires high temperatures and extended processing times, as is the case with conventional methods. In this study, in situ prepared silver nanoparticles (AgNPs) in a crosslinked polymeric matrix are achieved simultaneously using environmentally friendly polyvinyl alcohol (PVA) and acrylamide via photopolymerization. The generated radicals facilitated the formation of silver nano particles while simultaneously forming a cross‐linked network that underwent further processing to transform into ink. The obtained polymer ink formulation is suitable for use with a refillable pen, and it is determined that it dries shortly after writing on surfaces such as paper and glass and exhibits high durability under room conditions.
Rapid Cognitive Deterioration in Progressive Supranuclear Palsy: A 1‐Year Follow‐Up Study
Authors: Li Xin‐Yi , Yang Yu‐Jie , Jiao Fang‐Yang , Tang Gan , Chen Ming‐Jia , Yao Rui‐Xin , Zhao Yi‐Xin , Liang Xiao‐Niu , Shen Bo , Sun Yi‐Min , Wu Jian‐Jun , Wang Jian , Liu Feng‐Tao ,   for the Progressive Supranuclear Palsy Neuroimage Initiative (PSPNI)
Published: December 2024

Background

Nowadays, cognitive impairment has been characterized as one of the most vital clinical symptoms in progressive supranuclear palsy (PSP).

Objectives

Based on a relatively large cohort, we aimed to show the cognitive deterioration in different PSP subtypes during 1‐year follow‐up and investigate potential contributors for disease prognosis.

Methods

One hundred seventeen patients from Progressive Supranuclear Palsy Neuroimage Initiative (PSPNI) cohort underwent neuropsychological tests and 1‐year follow‐up, with 73 diagnosed as PSP‐Richardson syndrome (PSP‐RS) and 44 as PSP‐non‐RS. Patients were divided into normal cognition (PSP‐NC), mild cognitive impairment (PSP‐MCI), and PSP‐dementia. Cognitive impairment and progression rates were compared between PSP‐RS and PSP‐non‐RS, and determinants for MCI conversion to dementia were calculated by multiple cox regression.

Results

At baseline, 30.8% of PSP patients were diagnosed as dementia, 53.0% as MCI, and only 16.2% as NC. Compared to PSP‐non‐RS, PSP‐RS suffered more from motor symptoms and cognitive impairment. During follow‐up, PSP‐RS also exhibited faster disease progression in Mini‐Mental State Examination and visuospatial function, with cognitive deterioration in attention and executive function, but retained in language and memory subdomains. Twenty‐seven of 62 PSP‐MCI patients converted to dementia during follow‐up, with the diagnosis of RS subtype as the most significant contributor to conversion (hazard ration = 2.993, 95% confidence interval = 1.451, 5.232, P = 0.009).

Conclusions

Patients with PSP‐RS showed more severe cognitive impairment and faster decline longitudinally than patients with PSP‐non‐RS. Additionally, the diagnosis of RS subtype appears to be the most contributed factor for MCI conversion to dementia within just 1‐year follow‐up period.
A Single‐Layer Wideband Differentially‐Fed Dual‐Polarized Filtenna With Low Cross‐Polarization
Authors: Li Dajiang , Huang Xinzhou , Yang Fan , Xiong De‐Yi , Kang Xin , Hu Kun‐Zhi , Chen Zhiyuan , Yan Dong
Published: December 2024

In this paper, a single‐layer differentially‐Fed dual‐polarized filtenna (DFDPF) with low cross‐polarization is developed. The developed DFDPF consists of four shorted driven patches and four triangular parasitic patches. First, each single‐feed driven patch resonates at its TM10 mode (corresponding to the antiphase TM20 mode of the two differentially‐fed patches). Incorporating shorting pins on the driven patches leads to a lower radiation null. Then, the parasitic patches are embedded into the gap between the driven patches to introduce an extra in‐band resonance operating in its TM1/2,1/2 mode, along with an upper radiation null, while the footprint remains unenlarged. This improves operating bandwidth and roll‐off rate on the upper passband edge. Finally, a pair of symbiotic open‐ended l‐shaped stubs are integrated into each driven patch to further enhance the suppression level of the upper stopband. The developed DFDPF was prototyped and measured for experimental verification. Experimental measurements validate the feasibility of the simulation results, demonstrating a wide –10 dB fractional impedance bandwidth of 19.5% and a peak realized gain of 6.6 dBi. In addition, the cross‐polarization level is lower than –40 dB.
Altered Nigral Amide Proton Transfer Imaging Signal Concordant With Motor Asymmetry in Parkinson's Disease: A Multipool CEST MRI Study
Authors: Tian Yaotian , Li Xinyang , Chen Haibo , Su Wen , Li Shuhua , Zheng Dandan , Li Chunmei , Chen Min
Published: December 2024

Asymmetry is a natural characteristic of Parkinson's disease (PD), which can be used to distinguish PD from atypical parkinsonism. Chemical exchange saturation transfer (CEST) has demonstrated value in reflecting the subtle changes related to neuron loss and abnormal protein accumulation in PD but has not been used to investigate asymmetry in PD. This study aimed to examine asymmetrical changes in the mesencephalic nucleus of PD patients with motor asymmetry using four‐pool CEST analysis and to explore the relationship between imaging asymmetry and motor asymmetry. Forty‐six PD cases with motor asymmetry (PD_MA) and 23 normal controls (NC) were included. The patients were divided into three subgroups based on their conditions: PD with mild motor asymmetry (PD_MMA), PD with severe motor asymmetry (PD_SMA), and hemiparkinsonism (PD_Hemi). Differences among the more affected and less affected sides of cases in various PD subgroups and the NC group were analyzed. Motor laterality and imaging laterality were determined to evaluate the concordance. Motor asymmetry and imaging asymmetry indexes were calculated to evaluate the correlation. Compared with NC, amide proton transfer (APT) was significantly decreased in the more affected sides of substantia nigra (SN) and red nucleus in the PD_MA, PD_SMA, and PD_Hemi groups. In the PD‐SMA group, the APT signal in the SN was significantly reduced in the more affected side compared with the less affected side. The imaging asymmetry index in APT for the SN was positively associated with the motor asymmetry index in the PD_SMA group (β = 0.431, p = 0.014). The imaging laterality in APT for the SN had a significant consistency with motor laterality in the PD_SMA group (κ = 0.566, p = 0.001). These findings suggest inherent asymmetry of APT signal in the SN in PD patients with severe asymmetry, with nigral APT potentially serving as a noninvasive biomarker of lateralization in PD.
Nucleic Acid Specificity, Cellular Localization and Reduced Toxicities of Thiazole Orange‐Neomycin Conjugates
Authors: McFarland Antwine W. , Fernando Lawrence P. , Kellish Patrick , Story Sandra P. , Schober Gretchen B. , Kumar Sunil , Gong Changjun , King Ada , Gong Xianchang , Leutou Alain S. , Arya Dev P.
Published: December 2024

Selective binding of small molecule ligands to nucleic acids with high affinity and limited toxicity remains an important goal in the development of compounds that can probe DNA or RNA in cells. Thiazole orange is a cell semi‐permeant, fluorescent cyanine dye, with low background noise, that binds several forms of nucleic acids. However, thiazole orange can exhibit cytotoxicity when used at high concentration and/or with prolonged exposure. Neomycin is a non‐fluorescent antibiotic with affinity for several forms of nucleic acids, but does not readily enter mammalian cells. Conjugation of neomycin with thiazole orange can exploit the properties of each individual compound, yielding a small molecule that could be used for nontoxic application in cellular analysis by microscopic imaging. We demonstrate that conjugation of neomycin with thiazole orange increases the cell permeability of neomycin, decreases the cytotoxicity of thiazole orange, and exhibits a greater degree of intracellular RNA targeted localization in the nucleolus, when compared to thiazole orange. Relative to thiazole orange, the conjugated compounds showed a much higher degree of stabilization of the nucleic acids as reflected in a greater denaturation temperature. Ultimately, our studies indicate that the conjugated thiazole orange‐neomycin compounds can be used as an RNA targeted, less cytotoxic alternative for cellular labeling.
Similar but Distinct—Biochemical Characterization of the Staphylococcus aureus Serine Hydrolases FphH and FphI
Authors: Fellner Matthias , Randall George , Bitac Ianah R. C. G. , Warrender Annmaree K. , Sethi Ashish , Jelinek Raz , Kass Itamar
Published: December 2024

Staphylococcus aureus is a major cause of infections like bacteremia, pneumonia, and endocarditis. These infections are often linked to the ability of S. aureus to form biofilms. Several S. aureus serine hydrolases have previously been identified to be active during biofilm‐forming conditions. Here, we present the biochemical characterization of two of these enzymes—fluorophosphonate binding hydrolase H and I (FphH, FphI). Cryogenic and room‐temperature X‐ray crystallography, enzymatic substrate profiling, small‐angle X‐ray scattering analysis, and molecular dynamics simulations provide new insights into similarities and differences between these two hydrolase_4 domain family members. We discover that these enzymes share an overall fold, including a flexible lid or cap region above the active site, which can be seen to be mobile in solution. Differences in the active site pocket and lid residues differentiate them and explain speed differences in their carboxyesterase substrate profile toward small unbranched carbon chain ester molecules. The first analysis of FphI is also compared to our previous knowledge of FphH and its association to stress conditions. These results enable the future precise targeting of Fph serine hydrolase family members with a long‐term goal to significantly improve the health and wellbeing of individuals and populations worldwide.
Bacillus endophytes for sustainable management of tomato spotted wilt virus and yield production
Authors: Khan Rizwan , He Pengbo , Chen Xiaojiao , He Pengfei , Ahmed Ayesha , Wu Yixin , Tang Guowen , Tang Ping , Li Xingyu , Munir Shahzad , He Yueqiu
Published: December 2024

BACKGROUND

Tomato‐spotted wilt virus (TSWV) from the Tospovirus genus affects over 1000 plant species, including key crops, and traditional control methods often prove inadequate. This study investigates the effectiveness of Bacillus amyloliquefaciens and Bacillus subtilis in reducing TSWV infection, enhancing plant growth, and strengthening defense in Nicotiana benthamiana. The aim is to assess Bacillus as a sustainable biocontrol alternative, offering an eco‐friendly solution for managing TSWV disease in agriculture.

RESULTS

Here, we report the efficacy of five Bacillus isolates (out of 15 tested) – B. amyloliquefaciens (DJB5, YN48, YN28, Mg6) and B. subtilis L1‐21 – significantly reducing TSWV copies per gram in N. benthamiana leaves, using a half‐leaf assay. In glasshouse trials, isolates DJB5, YN48, and Mg6 decreased TSWV copies per gram by 75.7%, 83.6%, and 88.2%, with biocontrol efficacy rates of 91.2%, 94.1%, and 95.7% respectively. All the isolates consistently mitigated the symptoms of TSWV, reduced the disease severity, and area under the disease progress curve (AUDPC) at 21 days post‐inoculation. Additionally, these isolates enhanced plant growth parameters, including shoot and root length, leaf number, area, and biomass. The application of endophytes in the infected plants activated antioxidant defense enzymes by elevating the activities of polyphenol oxidase (PPO), peroxidase (POD), superoxide dismutase (SOD), and chitinase. However, defense‐related enzymes, such as malondialdehyde (MDA), catalase (CAT), phenylalanine ammonia‐lyase (PAL), total phenol, and β‐1,3‐glucanase decreased as TSWV infection reduced in the leaves.

CONCLUSION

Our findings indicate that B. amyloliquefaciens isolates, DJB5, YN48, and Mg6, effectively manage TSWV by activating plant defense, reducing virus load, reducing TSWV symptoms, and promoting plant growth. © 2024 Society of Chemical Industry.
Glucosinolates and Their Hydrolytic Derivatives: Promising Phytochemicals With Anticancer Potential
Authors: Joković Nataša , Pešić Strahinja , Vitorović Jelena , Bogdanović Andrija , Sharifi‐Rad Javad , Calina Daniela
Published: December 2024

Recent research has increasingly focused on phytochemicals as promising anticancer agents, with glucosinolates (GSLs) and their hydrolytic derivatives playing a central role. These sulfur‐containing compounds, found in plants of the Brassicales order, are converted by myrosinase enzymes into biologically active products, primarily isothiocyanates (ITCs) and indoles, which exhibit significant anticancer properties. Indole‐3‐carbinol, diindolylmethane, sulforaphane (SFN), phenethyl isothiocyanate (PEITC), benzyl isothiocyanate, and allyl isothiocyanate have shown potent anticancer effects in animal models, particularly in breast, prostate, lung, melanoma, bladder, hepatoma, and gastrointestinal cancers. Clinical studies further support the chemopreventive effects of SFN and PEITC, particularly in detoxifying carcinogens and altering biochemical markers in cancer patients. These compounds have demonstrated good bioavailability, low toxicity, and minimal adverse effects, supporting their potential therapeutic application. Their anticancer mechanisms include the modulation of reactive oxygen species, suppression of cancer‐related signaling pathways, and direct interaction with tumor cell proteins. Additionally, semi‐synthetic derivatives of GSLs have been developed to enhance anticancer efficacy. In conclusion, GSLs and their derivatives offer significant potential as both chemopreventive and therapeutic agents, warranting further clinical investigation to optimize their application in cancer treatment.
Configurational and Conformational Studies of Quinolizidine and Beta‐Carboline Moieties in the Corynanthe‐Tryptamine Alkaloids
Authors: Grigoriev Dmitry A. , Semenov Valentin A. , Angenot Luc , Krivdin Leonid B.
Published: December 2024

Configurational and conformational assignments of 11 Corynanthe‐Tryptamine alkaloids (usambarane skeleton) were performed based on the correlation of the high‐level calculated and experimental 1H and 13C NMR chemical shifts. For some compounds, the reassignment of a number of individual signals together with spectral assignment of experimentally unresolved peaks was suggested. The different conformations of the C/D quinolizidine ring system appear strictly dependent of the structure of the side chain (ethyl‐, vinyl‐ or ethylidenic); in the latter case, the configuration (E or Z) of the 19‐20 double bond of the ethylidenic chain is determinant to establish a cis‐ or a trans‐quinolizidine system of rings C/D. The conformation is also influenced by the equatorial or axial conformation of (C15) substituents.
Combining the 15N Gas Flux Method and N2O Isotopocule Data for the Determination of Soil Microbial N2O Sources
Authors: Micucci Gianni , Lewicka‐Szczebak Dominika , Sgouridis Fotis , Well Reinhard , Buchen‐Tschiskale Caroline , McNamara Niall P. , Krause Stefan , Lynch Iseult , Roos Felicity , Ullah Sami
Published: December 2024

Rationale

The analysis of natural abundance isotopes in biogenic N2O molecules provides valuable insights into the nature of their precursors and their role in biogeochemical cycles. However, current methodologies (for example, the isotopocule map approach) face limitations, as they only enable the estimation of combined contributions from multiple processes at once rather than discriminating individual sources. This study aimed to overcome this challenge by developing a novel methodology for the partitioning of N2O sources in soil, combining natural abundance isotopes and the use of a 15N tracer (15N Gas Flux method) in parallel incubations.

Methods

Laboratory incubations of an agricultural soil were conducted to optimize denitrification conditions through increased moisture and nitrate amendments, using nitrate that was either 15N‐labeled or unlabeled. A new linear system combined with Monte Carlo simulation was developed to determine N2O source contributions, and the subsequent results were compared with FRAME, a Bayesian statistical model for stable isotope analysis.

Results

Our new methodology identified bacterial denitrification as the dominant process (87.6%), followed by fungal denitrification (9.4%), nitrification (1.5%), and nitrifier denitrification (1.6%). Comparisons with FRAME showed good agreement, although FRAME estimated slightly lower bacterial denitrification (80%) and higher nitrifier‐denitrification (9%) contributions.

Conclusions

This approach provides an improved framework for accurately partitioning N2O sources, enhancing understanding of nitrogen cycling in agroecosystems, and supporting broader environmental applications.
A SIFT Study of Reactions of Positive and Negative Ions With Polyfluoroalkyl (PFAS) Molecules in Dry and Humid Nitrogen at 393 K
Authors: Swift Stefan James , Omezzine Gnioua Maroua , Dryahina Kseniya , Španěl Patrik
Published: December 2024

Rationale

Data are required for SIFT‐MS analysis of perfluoroalkyl and polyfluoroalkyl substances (PFAS), which are persistent in the environment and cause adverse health effects. Specifically, the rate coefficients and product ion branching ratios of the reactions of H3O+, NO+, O2+•, O−•, OH−, O2−•, NO2− and NO3− with PFAS vapours are needed.

Methods

The dual polarity SIFT‐MS instrument (Voice200) was used to generate these eight reagent ions and inject them into the flow tube with N2 carrier gas at a temperature of 393 K. Vapours of pentafluoropropionic acid, heptafluorobutyric acid, nonafluoro‐1‐hexanol, perfluoro‐2‐methyl‐2‐pentene, perfluorohexanoic acid, perfluoro(2‐methyl‐3‐oxahexanoic) acid, tridecafluoro‐1‐octanol and nonafluorobutane‐1‐sulfonic acid were introduced in dry and humid air. Full‐scan mass spectra were collected for all reagents at variable PFAS concentrations and analysed numerically.

Results

Rate coefficients were determined for 64 reactions, for which 55 positive and 71 negative product ions were identified. The branching ratios for the primary reaction channels were extracted from the data, and the secondary chemistry with H2O molecules was qualitatively assessed. The thermochemical data were calculated for the H3O+ reactions using density functional theory (DFT).

Conclusions

An important observation is that secondary reactions with water molecules remove the positive product ions, making them unsuitable for practical SIFT‐MS analysis of PFAS vapours. In contrast, most negative reaction product ions are not significantly affected by humidity and are thus preferred for the SIFT‐MS analyses of PFAS substances in various gaseous matrices.
Rapid Analysis of Nucleic Acids by Matrix‐Assisted Laser Desorption Ionization Time‐Of‐Flight Mass Spectrometry With a Data Algorithm
Authors: Xu Zhen , Xiong Baolin , Cheng Wenbo , Hu Bin , Tang Yuguo
Published: December 2024

Rationale

Matrix‐assisted laser desorption ionization time‐of‐flight mass spectrometry (MALDI‐TOF‐MS) is a powerful method for identifying viruses via nucleic acid detection. The data processing method is critical in recognizing nucleic acid obtained by MALDI‐TOF‐MS. Therefore, new development of data algorithm is needed for virus identification.

Methods

In this work, we developed a new data processing algorithm of MALDI‐TOF‐MS to identify respiratory viruses and deafness gene mutation sites. The algorithm includes denoising, baseline correcting, peak identification, and extraction features for processing the MS spectrum.

Results

Standard nucleic acid and respiratory virus samples were used to evaluate the performances of the newly developed algorithms. The errors of peak detection were found to be less than 200 ppm. Excellent sensitivity (91.67%–100%) and specificity (96.88–100%) were obtained by identifying 305 virus samples in this work, showing excellent performances. Additionally, accurate identification of the mutation sites of deafness genes was also obtained by the presented method.

Conclusions

Overall, our data showed that this method is accurate, sensitive, and specific for nucleic acid identification, showing the potential applications for qualitative analysis of respiratory viruses and deafness gene mutation screening.
Increasing Reachability in Robotic Ultrasound Through Base Placement and Tool Design
Authors: Osburg Jonas , Nguyen Ngoc Thinh , Ernst Floris
Published: December 2024

Background

Robotic ultrasound visualises internal organs in real‐time for various medical applications without the harm of X‐rays. The ultrasound probe is attached to the robot's end effector using custom‐developed probe holders. This paper analyzes the impact of different probe holder geometries on the robot's base placement and reachability.

Methods

We propose a method to improve probe holder geometries and robot base placements to enhance reachability, validated using a 7‐DoF serial manipulator (KUKA iiwa 7) for ultrasound scans of multiple subcutaneous body parts.

Results

Without additional space restrictions, the number of robot base positions with high reachability could be strongly increased with an improved probe holder geometry. Under space constraints, previously unreachable target poses became accessible by adapting the probe holder geometry.

Conclusions

Our method provides an automated solution for determining improved probe holder geometries, enhancing reachability to target areas, especially when the robot's placing area is limited.
Adaptive Secure Consensus for Nonlinear Multiagent Systems With Distributed Sequential Link Attacks Under General Directed Graphs
Authors: Zhao Miao , Xi Jianxiang , Wang Le , Liu Hao , Zheng Yuanshi
Published: December 2024

This article introduces a novel adaptive secure consensus strategy for achieving secure consensus in nonlinear multi‐agent systems (MASs) against distributed sequential link attacks under general directed graphs, which can be implemented in a fully distributed manner. First, communication network attacks on MASs are modeled as distributed sequential link attacks. An adaptive secure consensus protocol is then designed for nonlinear MASs to achieve fully distributed secure consensus under general directed graphs. Moreover, by decomposing the Laplacian matrix of general directed graphs, secure consensus criteria for nonlinear MASs against distributed sequential link attacks are presented, unifying leaderless and leader‐follower structures into a single control framework. Finally, the effectiveness of the proposed control strategy is demonstrated through a simulation example.
M2CS: A Multimodal and Campus‐Scapes Dataset for Dynamic SLAM and Moving Object Perception
Authors: Zhao Huanfeng , Yao Meibao , Zhao Yan , Jiang Yao , Zhang Hongyan , Xiao Xueming , Gao Ke
Published: December 2024

The deployment of the robotic system that executes specific task is being challenged by the prevalence of dynamic objects in real‐world scenes. Two robotic tasks sparked by this challenge, known as dynamic Simultaneous Localization and Mapping (SLAM) and moving object perception, are crucial for enhancing system robustness and reinforcing environment awareness. Existing public datasets are diverse in platforms, sensor combinations, scenarios, and label annotations, but few adequately benchmark the above tasks. To fill this gap, we introduce the multimodal and campus‐scapes (M2CS) dataset, providing robot‐centric synchronized LiDAR‐Inertial‐Visual‐GNSS data with 3D moving object annotation in specific dynamic scenarios. The dataset exhibits variation in dynamic object types and densities, annotating over 160,000 Light Detection and Ranging (LiDAR) scans and releasing ground truth of trajectories acquired by the GNSS‐RTK/INS system. The dataset evaluates existing SLAM and moving object perception methods, driving relevant research to overcome this challenge. We publish the M2CS dataset on the website (https://github.com/Zhaohuanfeng/M2CS) and hope it promotes research on robotics in complex environment.
Rapid Hydrolysis of Submicron Magnesium Catalyzed by In Situ‐Generated Multi‐Nickel Alloys
Authors: Huang Haixiang , Chen Jinting , Xu Tingting , Yuan Jianguang , Liu Bogu , Zhang Bao , Wu Ying
Published: December 2024

The hydrolysis of lightweight metal‐based materials is a promising technology for supplying hydrogen to portable fuel cells. Various additives for the catalytic modification of Mg hydrolysis have been investigated. Efficient catalysts and small magnesium particle sizes are key to enhancing the rate of hydrogen production. In this study, submicron Mg and in situ‐generated multi‐Ni alloy catalysts (NiM@Gn) are prepared and composited for the first time. Among the composites prepared, Mg‐5 wt.%NiM@Gn exhibits the best hydrolysis performance. This composite can release 804.4 mL g−1 hydrogen within 30 s (98.32% of the total yield), and its initial hydrogen release rate is as high as 5480 mL g−1 min−1, with a low apparent activation energy of hydrolysis of 10.85 kJ mol−1. Submicron Mg greatly improves the rate of the hydrolysis reaction, and graphene facilitates the exfoliation of agglomerated Mg particles in water. Mg2Ni and (Fe, Ni) alloys generate microgalvanic cells with Mg in situ, significantly enhancing the electrochemical corrosion efficiency of Mg. Theoretical calculations show that these alloys accelerate electron transfer and coupling on the Mg surface. This study guides for the design and preparation of multi‐catalysts and establishes the feasibility of submicron Mg for hydrogen generation through hydrolysis.
Conversion of Flexible Spin Crossover Metal–Organic Frameworks Macrocrystals to Nanocrystals Using Ultrasound Energy: A Study on Structural Integrity by MicroED and Charge‐Transport Properties
Authors: Martinez‐Martinez Ana , Gullace Sara , Resines‐Urien Esther , Martín‐Pérez Lucia , Collado Javier , Arranz Rocío , Burzurí Enrique , Santiago César , Sañudo E. Carolina , Sanchez Costa José
Published: December 2024

Metal–Organic Frameworks (MOFs) attract attention for their intrinsic porosity, large surface area, and functional versatility. To fully utilize their potential in applications requiring precise control at smaller scales, it is essential to overcome challenges associated with their bulk form. This is particularly difficult for 3D MOFs with spin crossover (SCO) behavior, which undergo a reversible transition between high‐spin and low‐spin states in response to external stimuli. Maintaining their structural integrity and SCO properties at the nanoscale remains a significant challenge, yet these properties make them ideal candidates for sensors, data storage, and molecular switch applications. This study reports the synthesis of nanocrystals of the well‐known SCO MOF [Fe2(H0.67bdt)3]·xH2O (1, x = 0–10, bdt2− = 1,4‐benzeneditetrazolate), which exhibits both magnetic and charge transport properties. The nanocrystals are obtained through sonication of macrocrystals, and the preservation of their crystalline structure at the nanoscale is explored using Microcrystal Electron Diffraction (MicroED). A comparison between macro‐ and nanocrystals highlights the structural integrity and the preservation of charge‐transport properties, underlining the potential for further miniaturization of MOFs for advanced technological applications.
Unveiling the Mystery of Precision Catalysis: Dual‐Atom Catalysts Stealing the Spotlight
Authors: Zhang Mengyang , Cao Xiwen , Dong Jie , Zhu Xianjun , Zhu Yanwei , Wang Longlu
Published: December 2024

In the era of atomic manufacturing, the precise manipulation of atomic structures to engineer highly active catalytic sites has become a central focus in catalysis research. Dual‐atom catalysts (DACs) have garnered significant attention for their superior activity, selectivity, and stability compared to single‐atom catalysts (SACs). However, a comprehensive review that integrates geometric and electronic factors influencing DAC performance remains limited. This review systematically explores the structure of DAC, addressing key macroscopic parameters, such as spatial arrangements and interatomic distances, as well as microscopic factors, including local coordination environments and electronic structures. Additionally, metal‐support interactions (MSI) and long‐range interactions (LSI) are comprehensively analyzed, which play a pivotal yet underexplored role in governing DAC behavior. the integration of tailored functional groups is further discussed to fine‐tune DAC properties, thereby optimizing intermediate adsorption, enhancing reaction kinetics, and expanding their multifunctionality in various electrochemical environments. This review offers novel insights into their rational design by elucidating the intricate mechanisms underlying DACs' exceptional performance. Ultimately, DACs are positioned as critical players in precision catalysis, highlighting their potential to drive significant breakthroughs across a broad spectrum of catalytic applications.
Extending Conjugation Lengths of the Linkage Units in Triazine‐Based Porous Polymers for Enhanced Photocatalysis
Authors: Hao Tingting , Zhao Fei , Du Yuchang , Zhang Shengling , Meng Fanpeng , Zhao Jinsheng , Chu Ya , Zhang Huayang
Published: December 2024

Three triazine‐based conjugated porous polymers (CPPs) are synthesized via a Pd‐catalyzed Suzuki‐Miyaura coupling reaction between derivatives of 2,4,6‐tri(thiophen‐2‐yl)‐1,3,5‐triazine (TTT) and 2,4,6‐triphenyl‐1,3,5‐triazine (TPT). Photocatalysis experiments demonstrate that the hydrogen evolution rate (HER) of ThTh‐CPP (homopolymer of TTT) reach an exceptional 46.4 mmol g⁻¹ h⁻¹ without co‐catalysts, surpassing ThPh‐CPP (8.26 mmol g⁻¹ h⁻¹, a copolymer of TTT and TPT) and PhPh‐CPP (3.06 mmol g⁻¹ h⁻¹, homopolymer of TPT), as well as nearly all similar polymer‐based catalysts reported to date, under visible light. The variance in photocatalytic activity is attributed to differences in the linkage units on the triazine ring. Mechanistic analysis, combining experimental and theoretical studies, highlights the potential of engineering the electron‐donating ability of the linkage units to enhance photocatalytic hydrogen evolution in triazine‐based conjugated polymers.
Optimization of Welding Parameters in Double‐Pulse Metal Inert Gas Welding of 15CDV6 High‐Strength Low‐Alloy Steel for Fabrication of Critical Rocket Components
Authors: Selvaraj Deepak Kumar , Venkateshkumar Kaviamudhan , Mahadev Rudra , Nellanickal Rahul Manoj , Thangaraju Deepan Bharathi Kannan
Published: December 2024

In this work, an attempt is made to find out the optimized weld parameters in double‐pulse metal inert gas‐welded 15CDV6 high‐strength low‐alloy steel. Three parameters namely wire feed speed, pulse frequency, and amplitude were varied and the weld quality was assessed based on bead width, depth of penetration, and tensile strength. Best and worst weld parameter combinations were identified using Technique for Order of Preference by similarity to ideal solution optimisation technique. Weld obtained through optimised parameter combination had a tensile strength of 867.28 MPa and the weld obtained through worst weld parameter combination had a tensile strength of 212.21 MPa. Compared to the base metal, the best weld had 21% higher tensile strength, and the worst weld had 65% lower tensile strength. A higher percentage of martensite in the microstructure of the best weld played a major role in achieving a high value of tensile strength. The best weld also had lower percentage of ferrite in both the heat‐affected zone and the weld zone compared to the worst weld. Best weld also had a lower percentage of high strain regions than the worst weld as indicated by electron backscatter diffraction results.
Green Extraction and Optimization of Lutein From Tagetes erecta by Ultrasound‐Assisted Extraction Method and Identification by High‐Performance Liquid Chromatography Method
Authors: Rahman Zuha , Panda Bibhu Prasad , Ahmad Sameer , Aeri Vidhu
Published: December 2024

Lutein, an essential nutrient, is present (0.01%–0.5%) in marigold flowers (Tagetes erecta L.) and has been associated with benefits for eye health, including protection against age‐related macular degeneration. Green extraction methods and green solvents have been reported to extract high yields of lutein, maintain purity, and reduce environmental impact compared to conventional methods. This study aims to extract lutein from marigold flowers using green extraction methods (maceration, soxhlet, and ultrasound‐assisted extraction [UAE]) and green solvents (isopropyl alcohol [IPA], ethanol, 2‐methyltetrahydrofuran [2‐MeTHF], dimethyl carbonate [DC], and cyclopentyl methyl ether [CPME]). Using the Box–Behnken design (BBD), the selected method was optimized and evaluated for lutein extraction and antioxidant activity. The optimal conditions for the ultrasound extraction method are ultrasonic power (100 W), extraction time (2.5 min), and a solid‐to‐solvent ratio (5%). Lutein was quantified by HPLC with a mobile phases of acetonitrile and methanol (40:60) at 450 nm. The UAE method using 2‐MeTHF showed the highest lutein yield (41.5 ± 1.4 µg/mL), surpassing hexane (25.8 ± 1.9 µg/mL) and other green solvents. By optimizing the extraction method, significant improvements were achieved in both lutein extraction yield (10%) and antioxidant activity (93.78%). The lutein yield increased 240.96‐fold, as compared to reported values.
Analytical Quality by Design Based HPLC for Quantitative Analysis of Teneligliptin and Rosuvastatin Calcium Tablets in the Presence of Force Degradation Products
Authors: Patel Rashmin , Shah Jeel , Patel Mrunali
Published: December 2024

The application of analytical quality by design in developing an HPLC method ensures robust, reliable, and regulatory‐compliant pharmaceutical analysis. This study aimed to establish a stability‐indicating HPLC for the quantification of teneligliptin and rosuvastatin calcium in tablets using analytical quality by design principles. The analytical target profile was defined, and a risk assessment identified critical method attributes and critical method parameters. A Plackett–Burman design screened significant critical method parameters, followed by optimization using a central composite design. The optimized method utilized a Phenomenex Gemini C18 column with a mobile phase of phosphate buffer (pH 5.0) and ACN (64:36% v/v), achieving retention times of 4.27 ± 0.2 min for teneligliptin and 11.84 ± 0.2 min for rosuvastatin. The HPLC method was validated as per International Council for Harmonisation (ICH) guidelines, demonstrating good linearity across concentration ranges of 20–60 µg/mL of teneligliptin and 10–30 µg/mL of rosuvastatin, respectively. Forced degradation studies under various stress conditions confirmed the method's specificity, ensuring reliable detection of teneligliptin and rosuvastatin even in the presence of degradation products. This study offers an innovative and efficient solution for the analysis of teneligliptin and rosuvastatin in combined fixed‐dose tablet formulations.
Significant helminthiasis, ocular defects and other disorders in an endangered population of red‐billed choughs (Pyrrhocorax pyrrhocorax): A descriptive observational study
Authors: Pennycott Tom , Bignal Eric , McCracken Davy
Published: December 2024

Background

The breeding population of the red‐billed chough (Pyrrhocorax pyrrhocorax) in Scotland has fallen in recent years, with all breeding pairs now confined to the Hebridean islands of Islay and Colonsay. Demographic studies have shown that a significant factor in the population decline on Islay has been reduced survival from fledging to 1 year of age (juveniles). Understanding the significance of infectious and non‐infectious diseases in chough mortality is crucial to the development of successful management strategies aimed at conserving breeding populations of choughs in Scotland and elsewhere.

Methods

Postmortem examinations were carried out on 72 choughs found dead or euthanased on welfare grounds on Islay between 2004 and 2024.

Results

Significant burdens of helminths, some not previously recorded in choughs, were found in 18 juvenile choughs (78.3% of all juveniles examined). Genetic eye abnormalities analogous to Peters’ anomaly in people were present in 16 nestling/fledgling choughs. Several other infectious and non‐infectious causes of death were also found.

Limitations

The number of carcases examined was only a small sub‐sample of all choughs dying on Islay.

Conclusion

Future strategies to conserve choughs on Islay will need to address the underlying causes of the increased losses from helminthiasis in juvenile choughs and assess the implications of inbreeding as demonstrated by the genetic eye disorders.