bluuebunny/crossref_metadata_2025 huggingface dataset:
High-throughput printing of combinatorial materials from aerosols
Authors: Zeng Minxiang , Du Yipu , Jiang Qiang , Kempf Nicholas , Wei Chen , Bimrose Miles V. , Tanvir A. N. M. , Xu Hengrui , Chen Jiahao , Kirsch Dylan J. , Martin Joshua , Wyatt Brian C. , Hayashi Tatsunori , Saeidi-Javash Mortaza , Sakaue Hirotaka , Anasori Babak , Jin Lihua , McMurtrey Michael D. , Zhang Yanliang
Published: May 2023

The development of new materials and their compositional and microstructural optimization are essential in regard to next-generation technologies such as clean energy and environmental sustainability. However, materials discovery and optimization have been a frustratingly slow process. The Edisonian trial-and-error process is time consuming and resource inefficient, particularly when contrasted with vast materials design spaces1. Whereas traditional combinatorial deposition methods can generate material libraries2,3, these suffer from limited material options and inability to leverage major breakthroughs in nanomaterial synthesis. Here we report a high-throughput combinatorial printing method capable of fabricating materials with compositional gradients at microscale spatial resolution. In situ mixing and printing in the aerosol phase allows instantaneous tuning of the mixing ratio of a broad range of materials on the fly, which is an important feature unobtainable in conventional multimaterials printing using feedstocks in liquid–liquid or solid–solid phases4–6. We demonstrate a variety of high-throughput printing strategies and applications in combinatorial doping, functional grading and chemical reaction, enabling materials exploration of doped chalcogenides and compositionally graded materials with gradient properties. The ability to combine the top-down design freedom of additive manufacturing with bottom-up control over local material compositions promises the development of compositionally complex materials inaccessible via conventional manufacturing approaches.
X-ray-to-visible light-field detection through pixelated colour conversion
Authors: Yi Luying , Hou Bo , Zhao He , Liu Xiaogang
Published: May 2023

Light-field detection measures both the intensity of light rays and their precise direction in free space. However, current light-field detection techniques either require complex microlens arrays or are limited to the ultraviolet–visible light wavelength ranges1–4. Here we present a robust, scalable method based on lithographically patterned perovskite nanocrystal arrays that can be used to determine radiation vectors from X-rays to visible light (0.002–550 nm). With these multicolour nanocrystal arrays, light rays from specific directions can be converted into pixelated colour outputs with an angular resolution of 0.0018°. We find that three-dimensional light-field detection and spatial positioning of light sources are possible by modifying nanocrystal arrays with specific orientations. We also demonstrate three-dimensional object imaging and visible light and X-ray phase-contrast imaging by combining pixelated nanocrystal arrays with a colour charge-coupled device. The ability to detect light direction beyond optical wavelengths through colour-contrast encoding could enable new applications, for example, in three-dimensional phase-contrast imaging, robotics, virtual reality, tomographic biological imaging and satellite autonomous navigation.
Profiling the human intestinal environment under physiological conditions
Authors: Shalon Dari , Culver Rebecca Neal , Grembi Jessica A. , Folz Jacob , Treit Peter V. , Shi Handuo , Rosenberger Florian A. , Dethlefsen Les , Meng Xiandong , Yaffe Eitan , Aranda-Díaz Andrés , Geyer Philipp E. , Mueller-Reif Johannes B. , Spencer Sean , Patterson Andrew D. , Triadafilopoulos George , Holmes Susan P. , Mann Matthias , Fiehn Oliver , Relman David A. , Huang Kerwyn Casey
Published: May 2023

The spatiotemporal structure of the human microbiome1,2, proteome3 and metabolome4,5 reflects and determines regional intestinal physiology and may have implications for disease6. Yet, little is known about the distribution of microorganisms, their environment and their biochemical activity in the gut because of reliance on stool samples and limited access to only some regions of the gut using endoscopy in fasting or sedated individuals7. To address these deficiencies, we developed an ingestible device that collects samples from multiple regions of the human intestinal tract during normal digestion. Collection of 240 intestinal samples from 15 healthy individuals using the device and subsequent multi-omics analyses identified significant differences between bacteria, phages, host proteins and metabolites in the intestines versus stool. Certain microbial taxa were differentially enriched and prophage induction was more prevalent in the intestines than in stool. The host proteome and bile acid profiles varied along the intestines and were highly distinct from those of stool. Correlations between gradients in bile acid concentrations and microbial abundance predicted species that altered the bile acid pool through deconjugation. Furthermore, microbially conjugated bile acid concentrations exhibited amino acid-dependent trends that were not apparent in stool. Overall, non-invasive, longitudinal profiling of microorganisms, proteins and bile acids along the intestinal tract under physiological conditions can help elucidate the roles of the gut microbiome and metabolome in human physiology and disease.
Pan-cancer whole-genome comparison of primary and metastatic solid tumours
Authors: Martínez-Jiménez Francisco , Movasati Ali , Brunner Sascha Remy , Nguyen Luan , Priestley Peter , Cuppen Edwin , Van Hoeck Arne
Published: May 2023

Metastatic cancer remains an almost inevitably lethal disease1–3. A better understanding of disease progression and response to therapies therefore remains of utmost importance. Here we characterize the genomic differences between early-stage untreated primary tumours and late-stage treated metastatic tumours using a harmonized pan-cancer analysis (or reanalysis) of two unpaired primary4 and metastatic5 cohorts of 7,108 whole-genome-sequenced tumours. Metastatic tumours in general have a lower intratumour heterogeneity and a conserved karyotype, displaying only a modest increase in mutations, although frequencies of structural variants are elevated overall. Furthermore, highly variable tumour-specific contributions of mutational footprints of endogenous (for example, SBS1 and APOBEC) and exogenous mutational processes (for example, platinum treatment) are present. The majority of cancer types had either moderate genomic differences (for example, lung adenocarcinoma) or highly consistent genomic portraits (for example, ovarian serous carcinoma) when comparing early-stage and late-stage disease. Breast, prostate, thyroid and kidney renal clear cell carcinomas and pancreatic neuroendocrine tumours are clear exceptions to the rule, displaying an extensive transformation of their genomic landscape in advanced stages. Exposure to treatment further scars the tumour genome and introduces an evolutionary bottleneck that selects for known therapy-resistant drivers in approximately half of treated patients. Our data showcase the potential of pan-cancer whole-genome analysis to identify distinctive features of late-stage tumours and provide a valuable resource to further investigate the biological basis of cancer and resistance to therapies.
Personalized RNA neoantigen vaccines stimulate T cells in pancreatic cancer
Authors: Rojas Luis A. , Sethna Zachary , Soares Kevin C. , Olcese Cristina , Pang Nan , Patterson Erin , Lihm Jayon , Ceglia Nicholas , Guasp Pablo , Chu Alexander , Yu Rebecca , Chandra Adrienne Kaya , Waters Theresa , Ruan Jennifer , Amisaki Masataka , Zebboudj Abderezak , Odgerel Zagaa , Payne George , Derhovanessian Evelyna , Müller Felicitas , Rhee Ina , Yadav Mahesh , Dobrin Anton , Sadelain Michel , Łuksza Marta , Cohen Noah , Tang Laura , Basturk Olca , Gönen Mithat , Katz Seth , Do Richard Kinh , Epstein Andrew S. , Momtaz Parisa , Park Wungki , Sugarman Ryan , Varghese Anna M. , Won Elizabeth , Desai Avni , Wei Alice C. , D’Angelica Michael I. , Kingham T. Peter , Mellman Ira , Merghoub Taha , Wolchok Jedd D. , Sahin Ugur , Türeci Özlem , Greenbaum Benjamin D. , Jarnagin William R. , Drebin Jeffrey , O’Reilly Eileen M. , Balachandran Vinod P.
Published: May 2023

Pancreatic ductal adenocarcinoma (PDAC) is lethal in 88% of patients1, yet harbours mutation-derived T cell neoantigens that are suitable for vaccines 2,3. Here in a phase I trial of adjuvant autogene cevumeran, an individualized neoantigen vaccine based on uridine mRNA–lipoplex nanoparticles, we synthesized mRNA neoantigen vaccines in real time from surgically resected PDAC tumours. After surgery, we sequentially administered atezolizumab (an anti-PD-L1 immunotherapy), autogene cevumeran (a maximum of 20 neoantigens per patient) and a modified version of a four-drug chemotherapy regimen (mFOLFIRINOX, comprising folinic acid, fluorouracil, irinotecan and oxaliplatin). The end points included vaccine-induced neoantigen-specific T cells by high-threshold assays, 18-month recurrence-free survival and oncologic feasibility. We treated 16 patients with atezolizumab and autogene cevumeran, then 15 patients with mFOLFIRINOX. Autogene cevumeran was administered within 3 days of benchmarked times, was tolerable and induced de novo high-magnitude neoantigen-specific T cells in 8 out of 16 patients, with half targeting more than one vaccine neoantigen. Using a new mathematical strategy to track T cell clones (CloneTrack) and functional assays, we found that vaccine-expanded T cells comprised up to 10% of all blood T cells, re-expanded with a vaccine booster and included long-lived polyfunctional neoantigen-specific effector CD8+ T cells. At 18-month median follow-up, patients with vaccine-expanded T cells (responders) had a longer median recurrence-free survival (not reached) compared with patients without vaccine-expanded T cells (non-responders; 13.4 months, P = 0.003). Differences in the immune fitness of the patients did not confound this correlation, as responders and non-responders mounted equivalent immunity to a concurrent unrelated mRNA vaccine against SARS-CoV-2. Thus, adjuvant atezolizumab, autogene cevumeran and mFOLFIRINOX induces substantial T cell activity that may correlate with delayed PDAC recurrence.
Genetic immune escape landscape in primary and metastatic cancer
Authors: Martínez-Jiménez Francisco , Priestley Peter , Shale Charles , Baber Jonathan , Rozemuller Erik , Cuppen Edwin
Published: May 2023

Studies have characterized the immune escape landscape across primary tumors. However, whether late-stage metastatic tumors present differences in genetic immune escape (GIE) prevalence and dynamics remains unclear. We performed a pan-cancer characterization of GIE prevalence across six immune escape pathways in 6,319 uniformly processed tumor samples. To address the complexity of the HLA-I locus in the germline and in tumors, we developed LILAC, an open-source integrative framework. One in four tumors harbors GIE alterations, with high mechanistic and frequency variability across cancer types. GIE prevalence is generally consistent between primary and metastatic tumors. We reveal that GIE alterations are selected for in tumor evolution and focal loss of heterozygosity of HLA-I tends to eliminate the HLA allele, presenting the largest neoepitope repertoire. Finally, high mutational burden tumors showed a tendency toward focal loss of heterozygosity of HLA-I as the immune evasion mechanism, whereas, in hypermutated tumors, other immune evasion strategies prevail.
Database covering the prayer movements which were not available previously
Authors: Mihcin Senay , Sahin Ahmet Mert , Yilmaz Mehmet , Alpkaya Alican Tuncay , Tuna Merve , Akdeniz Sevinc , Korkmaz Nuray Can , Tosun Aliye , Sahin Serap
Published: May 2023

Lower body implants are designed according to the boundary conditions of gait data and tested against. However, due to diversity in cultural backgrounds, religious rituals might cause different ranges of motion and different loading patterns. Especially in the Eastern part of the world, diverse Activities of Daily Living (ADL) consist of salat, yoga rituals, and different style sitting postures. A database covering these diverse activities of the Eastern world is non-existent. This study focuses on data collection protocol and the creation of an online database of previously excluded ADL activities, targeting 200 healthy subjects via Qualisys and IMU motion capture systems, and force plates, from West and Middle East Asian populations with a special focus on the lower body joints. The current version of the database covers 50 volunteers for 13 different activities. The tasks are defined and listed in a table to create a database to search based on age, gender, BMI, type of activity, and motion capture system. The collected data is to be used for designing implants to allow these sorts of activities to be performed.
Development and validation of a continuous metabolic syndrome severity score in the Tehran Lipid and Glucose Study
Authors: Honarvar Mohammadjavad , Masoumi Safdar , Mehran Ladan , Khalili Davood , Amouzegar Atieh , Azizi Fereidoun
Published: May 2023

Metabolic syndrome (MetS), defined as the coexistence of interrelated cardiometabolic risk factors, is limited by ignoring the severity of the disease and individuals with a pre-metabolic state. We aimed to develop the first age- and sex-specific continuous MetS severity score in the adult population using confirmatory factor analysis (CFA) based on the MetS components in the Middle East. Using data from the population-based Tehran Lipid and Glucose Study (TLGS) I and II datasets, we conducted CFA of the single factor MetS on 8933 adults (20–60 years old) totally, and in age and sex subgroups. We allowed for different factor loadings across the subgroups to formulate age- and sex-specific continuous MetS severity score equations. Thereafter, we validated these equations in the dataset of TLGS III participants. Triglyceride had the highest factor loading across age and sex subgroups, indicating the most correlation with MetS. Except for women aged 40–60 years, waist circumference was the second most significant factor contributing to MetS. Systolic blood pressure was more closely related to MetS in women than in men. Systolic blood pressure and fasting plasma glucose had the weakest correlation with MetS among the 40–60 age group. Moreover, as women age, the contribution of fasting plasma glucose to MetS tended to decline, while it remained relatively constant in men. The resulting MetS severity score was correlated with age and homeostasis model assessment of insulin resistance. Furthermore, the continuous MetS severity score well predicted the traditional MetS according to receiver operating characteristic analysis in the validation dataset. The age- and sex-specific continuous MetS severity score for the West Asian adult population provides a tangible quantitative measure of MetS enabling clinicians to screen and monitor the individuals at risk and assess their metabolic trends.
Nasolacrimal intubation in transcanalicular endoscopic dacryoplasty: a long-term follow-up study
Authors: Zimmermann Julian Alexander , Esser Eliane Luisa , Merté Ralph-Laurent , Danzer Moritz Fabian , Rosenberger Friederike , Brücher Viktoria C. , Eter Nicole , Alnawaiseh Maged , Blumberg Alina Friederike , Lahme Larissa , Mihailovic Natasa
Published: May 2023

Nowadays, transcanalicular endoscopic dacryoplasty represents the majority of lacrimal duct surgery procedures performed in adults in specialised centers. However, there are still hardly any data available regarding the intra- and postoperative care, particularly regarding the duration of silicone tube intubation (STI). Our aim was to evaluate the relation between tube duration and recurrence of symptoms in patients who underwent transcanalicular microdrill dacryoplasty (MDP) in a long-term setting. Medical records of 576 adult patients after MDP were retrospectively reviewed. A total of 256 eyes of 191 patients could be included. The median follow-up time was 7.83 [7.08; 9.25] years. In 57.0% of the cases there was still full resolution of symptoms at the time of the survey. The median duration of the STI was 6 [3.00; 6:00] months. When distinguishing between a tube duration < 3 months and ≥ 3 months there was a significant difference in the long-term success rate (< 3 months: 38%; ≥ 3 months: 61%; p = 0.011). In conclusion, an early removal of the STI (< 3 months) after transcanalicular MDP seems to be associated with a higher incidence of recurrence of symptoms. This should be considered in the intra- and postoperative care of patients following this minimally invasive first-step procedure.
Machine learning-based causal models for predicting the response of individual patients to dexamethasone treatment as prophylactic antiemetic
Authors: Mizuguchi Taisuke , Sawamura Shigehito
Published: May 2023

Risk-based strategies are widely used for decision making in the prophylaxis of postoperative nausea and vomiting (PONV), a major complication of general anesthesia. However, whether risk is associated with individual treatment effect remains uncertain. Here, we used machine learning-based algorithms for estimating the conditional average treatment effect (CATE) (double machine learning [DML], doubly robust [DR] learner, forest DML, and generalized random forest) to predict the treatment response heterogeneity of dexamethasone, the first choice for prophylactic antiemetics. Electronic health record data of 2026 adult patients who underwent general anesthesia from January to June 2020 were analyzed. The results indicated that only a small subset of patients respond to dexamethasone treatment, and many patients may be non-responders. Estimated CATE did not correlate with predicted risk, suggesting that risk may not be associated with individual treatment responses. The current study suggests that predicting treatment responders by CATE models may be more appropriate for clinical decision making than conventional risk-based strategy.
Well-distributed 1T/2H MoS2 nanocrystals in the N-doped nanoporous carbon framework by direct pyrolysis
Authors: Baheri Yalda Tarpoudi , Maleki Mahdi , Karimian Hossein , Javadpoor Jafar , Masoudpanah Seyed Morteza
Published: May 2023

Molybdenum disulfide (MoS2) has been a promising anode material in lithium-ion batteries (LIBs) because of its high theoretical capacity and large interlayer spacing. However, its intrinsic poor electrical conductivity and large volume changes during the lithiation/delithiation reactions limit its practical application. An efficient synthesis strategy was developed to prepare the MoS2 nanocrystals well-anchored into the N-doped nanoporous carbon framework to deal with these challenges by a confined reaction space in an acrylonitrile-based porous polymer during the carbonization process. The prepared hybrid material comprises small 1T/2H-MoS2 nanoparticles surrounded by a nanoporous carbon matrix. In addition to the highly crystalline nature of the synthesized MoS2, the low ID/IG of the Raman spectrum demonstrated the development of graphitic domains in the carbon support during low-temperature pyrolysis (700 °C). This novel three-dimensional (3D) hierarchical composite shows superior advantages, such as decreased diffusion lengths of lithium ions, preventing the agglomeration of MoS2 nanocrystals, and maintaining the whole structural stability. The prepared C/MoS2 hybrid demonstrated fast rate performance and satisfactory cycling stability as an anode material for LIBs.
Selecting antibacterial aptamers against the BamA protein in Pseudomonas aeruginosa by incorporating genetic algorithm to optimise computational screening method
Authors: Selvam Rupany , Lim Ian Han Yan , Lewis Jovita Catherine , Lim Chern Hong , Yap Michelle Khai Khun , Tan Hock Siew
Published: May 2023

Antibiotic resistance is one of the biggest threats to global health resulting in an increasing number of people suffering from severe illnesses or dying due to infections that were once easily curable with antibiotics. Pseudomonas aeruginosa is a major pathogen that has rapidly developed antibiotic resistance and WHO has categorised this pathogen under the critical list. DNA aptamers can act as a potential candidate for novel antimicrobial agents. In this study, we demonstrated that an existing aptamer is able to affect the growth of P. aeruginosa. A computational screen for aptamers that could bind to a well-conserved and essential outer membrane protein, BamA in Gram-negative bacteria was conducted. Molecular docking of about 100 functional DNA aptamers with BamA protein was performed via both local and global docking approaches. Additionally, genetic algorithm analysis was carried out to rank the aptamers based on their binding affinity. The top hits of aptamers with good binding to BamA protein were synthesised to investigate their in vitro antibacterial activity. Among all aptamers, Apt31, which is known to bind to an antitumor, Daunomycin, exhibited the highest HADDOCK score and resulted in a significant (p < 0.05) reduction in P. aeruginosa growth. Apt31 also induced membrane disruption that resulted in DNA leakage. Hence, computational screening may result in the identification of aptamers that bind to the desired active site with high affinity.
Detection of high-risk Human Papillomavirus in prostate cancer from a UK based population
Authors: Ahmed M. Yahya , Salman Nadia Aziz , Sandhu Sarbjinder , Cakir M. Okan , Seddon Alan M. , Kuehne Christian , Ashrafi G. Hossein
Published: May 2023

Human papillomavirus (HPV) infection is one of the sexually transmitted diseases which have been implicated in the etiology of multiple cancers. To date, several studies have been conducted to evaluate the incidence of high-risk (HR) HPV in prostate cancer (PCa) which have generated widely conflicting data. Hence, this leaves a lack of awareness on the causal role of persistent HPV infection in the development of PCa. Although this has been investigated in a handful of countries, to the best of our knowledge, no prior studies have been conducted in the UK. In this study, polymerase chain reaction (PCR) and Sanger sequencing were implemented to analyze a total of 49 fresh prostate specimens (35 benign and 14 malignant specimens) for the presence of viral DNA of 12 HR-HPV types. Data obtained confirmed the presence of HR-HPV in 32.7% of analyzed benign and malignant prostate tissues with HPV 35 being identified as the most frequent type. Moreover, HR-HPV positivity rate was found to be higher in abnormal prostate tissues (adenocarcinoma and benign with prostatitis) compared those with normal prostate condition. Using immunohistochemistry, we have confirmed the expression of HPV E7 protein in prostate tissues positive for HPV DNA. This observation, the first reported from a UK population, suggests that the presence of HPV in prostate tissue is likely to be a related factor in the progression of certain cases of prostate cancer.
Spontaneous mutations in hlyD and tuf genes result in resistance of Dickeya solani IPO 2222 to phage ϕD5 but cause decreased bacterial fitness and virulence in planta
Authors: Sokolova Daryna , Smolarska Anna , Bartnik Przemysław , Rabalski Lukasz , Kosinski Maciej , Narajczyk Magdalena , Krzyżanowska Dorota M. , Rajewska Magdalena , Mruk Inez , Czaplewska Paulina , Jafra Sylwia , Czajkowski Robert
Published: May 2023

Lytic bacteriophages able to infect and kill Dickeya spp. can be readily isolated from virtually all Dickeya spp. containing environments, yet little is known about the selective pressure those viruses exert on their hosts. Two spontaneous D. solani IPO 2222 mutants (0.8% of all obtained mutants), DsR34 and DsR207, resistant to infection caused by lytic phage vB_Dsol_D5 (ΦD5) were identified in this study that expressed a reduced ability to macerate potato tuber tissues compared to the wild-type, phage-susceptible D. solani IPO 2222 strain. Genome sequencing revealed that genes encoding: secretion protein HlyD (in mutant DsR34) and elongation factor Tu (EF-Tu) (in mutant DsR207) were altered in these strains. These mutations impacted the DsR34 and DsR207 proteomes. Features essential for the ecological success of these mutants in a plant environment, including their ability to use various carbon and nitrogen sources, production of plant cell wall degrading enzymes, ability to form biofilms, siderophore production, swimming and swarming motility and virulence in planta were assessed. Compared to the wild-type strain, D. solani IPO 2222, mutants DsR34 and DsR207 had a reduced ability to macerate chicory leaves and to colonize and cause symptoms in growing potato plants.
Clinical implication of tissue carcinoembryonic antigen expression in association with serum carcinoembryonic antigen in colorectal cancer
Authors: Aldilaijan Abdulmohsin Fawzi , Kim Young Il , Kim Chan Wook , Yoon Yong Sik , Park In Ja , Lim Seok-Byung , Kim Jihun , Ro Jun-Soo , Kim Jin Cheon
Published: May 2023

This study aimed to evaluate the prognostic significance of carcinoembryonic antigen (CEA) expression in tumor tissues of patients with colorectal cancer (CRC). The cohort included 7,412 patients with CRC from January 2010 to December 2015. Survival outcomes were assessed based on tissue CEA (t-CEA) patterns and intensities. Three-year (76.7% versus 81.3%) and 5-year (71.7% versus 77.6%, p < 0.001) disease-free survival (DFS) rates were significantly (p < 0.001) poorer in patients with a diffuse-cytoplasmic pattern than an apicoluminal pattern. Three-year (79% versus 86.6%) and 5-year (74.6% versus 84.7%) DFS rates were also significantly (p < 0.001) poorer in patients with high than low t-CEA intensity. Three-year (84.6% versus 88.4%) and 5-year (77.3% versus 82.6%) overall survival (OS) rates were significantly (p < 0.001) poorer in patients with diffuse-cytoplasmic than apicoluminal pattern of CEA expression, and both 3-year (86.7% versus 91.2%) and 5-year (80.1% versus 87.7%) OS rates were significantly (p < 0.001) poorer in patients with high than low t-CEA intensity. Multivariate analyses showed that high-intensity t-CEA was independently associated with DFS (p = 0.02; hazard ratio [HR] = 1.233) and OS (p = 0.032; HR = 1.228). Therefore, high-intensity t-CEA is a significant prognostic factor in CRC, independent of serum CEA (s-CEA), and can complement s-CEA in predicting survival outcomes after CRC resection.
Environmental Applications of Activated Carbon
Authors: Krishna B. Gopal , Tiwari Sanjay , Ghosh Dhriti Sundar , Rao M. Jagannadha
Published: May 2023

Human-caused global warming and water/air contamination are important environmental pollution and climate change problems. These problems are being exacerbated by the improper discharge of a substantial number of agro-forest by-products, dyes, heavy metal ions, pesticides, pharmaceutical waste products, and volatile organic products, which can contribute to global warming, and their inappropriate waste management contributes to environmental pollution. The transformation of these waste materials into useful smart materials such as activated carbon (AC) is a potential waste management and environmental remediation technique. ACs are made from a variety of agricultural wastes and have been widely employed as adsorbents for decades. Various physical and chemical treatments can be used to bring different functions to their surface. The basic features of AC, as well as the surface chemistry that results from physical and chemical treatment, are discussed in this chapter. The adsorption process, several adsorption isotherms, and adsorption kinetics are also discussed. There is also a brief description of the mechanisms of adsorption onto AC. Finally, the most likely applications of AC are discussed, including adsorption of pollutants, catalytic support, energy storage, and use in the food and pharmaceutical sectors.
Food Industry Applications of Activated Carbon
Authors: Fatma Ishrat , Assad Humira , Kumar Ashish , Hussain Chaudhery M.
Published: May 2023

A number of experts have conducted in-depth research on the promising substance known as activated carbon (AC). Low-cost AC has distinct qualities like high specific surface area, high porosity, and desired surface functionalization. Due to its many useful applications in adsorption, pollution removal, water treatment, food additives, etc., AC is widely employed. Activated charcoal is now widely used for successful treatment for a variety of ailments. Because of its teeth-whitening ability, it is used in toothpaste, and because of its capacity to absorb pollutants, it is utilized in beauty products. However, adding AC to meals is one of the most effective ways people use it. It prevents the body from absorbing it and traps poisons and chemicals in the gut. In this regard, an outline of AC is provided along with a review of the sources of AC. Additionally, the techniques utilized to generate AC—physical, physicochemical, carbonization/pyrolysis, and microwave-assisted activation—are elucidated. The key elements influencing the manufacturing of AC, potential uses of AC, and their prospects for the future are also covered.
Influence of Activated Carbon on Metallic Corrosion
Authors: Aslam R. , Mobin M. , Guo Lei
Published: May 2023

In all fields of research, scientists around the world consider metallic corrosion as a serious problem. In addition to being attacked by various bacteria, exposed metallic surfaces are also susceptible to corrosion under acidic or alkaline conditions. A material having distinguishing qualities including high specific surface area, high porosity, and desired surface functionalization is inexpensive activated carbon (AC). The chapter discusses the types and preparation and production methods of AC. This chapter also reviews the use of AC in metal corrosion prevention. Due to problems with its solubility in aqueous media and the use of harsh experimental conditions needed to functionalize it, there is little research on the anti-corrosion applications of AC.
Understanding the complexity in bridging thermal and electrocatalytic methanation of CO2
Authors: Kang Hui , Ma Jun , Perathoner Siglinda , Chu Wei , Centi Gabriele , Liu Yuefeng
Published: May 2023

This review provides clues to understanding the complexity of moving from thermal to electrocatalysis and the tools for designing next-generation electrocatalysts for CO2reduction to methane.
Enhanced interface stability of ammine magnesium borohydride by in situ decoration of MgBr2·2NH3 nanoparticles
Authors: Wang Qian , Li Zhaoyue , Deng Hanyu , Chen Yungui , Yan Yigang
Published: May 2023

The in situ decoration of MgBr2·2NH3 nanoparticles with an average size of 3.7 nm on the surface of Mg(BH4)2·1.9NH3 offers long-term stability towards the Mg metal anode.
Identification of PdPt alloys for preferential C6 olefin hydrogenation over aromatic hydrocarbons through density functional theory and microkinetic modeling
Authors: Ma Haowen , Wang Jiayi , Zhan Xuecheng , Xie Yuan , Sun Limin , Hu Xiaoli , Xu Haoxiang , Cheng Daojian
Published: May 2023

Pd3Pt1 is identified with high selectivity (low aromatic depletion), while Pd1Pt1 and Pd1Pt3 are more active for olefin hydrogenation. The PdPt alloys present superior sulfur tolerance compared to Pd.
Intramolecular and intermolecular hole delocalization rules the reducer character of isolated nucleobases and homogeneous single-stranded DNA
Authors: Lucia-Tamudo Jesús , Díaz-Tendero Sergio , Nogueira Juan J.
Published: May 2023

Redox properties of DNA strands depend on the balance between intramolecular and intermolecular charge delocalization.
Evidence of vacancy ordered structures in PuO2−x and AmO2−x from first-principles calculations
Authors: Ghosh P. S. , Arya A.
Published: May 2023

A combination of first-principles calculations and cluster expansion method is used to study ordering of oxygen vacancies in PuO2−x and AmO2−x.
Promotional effects of cerium in ytterbium doped fibers on proton irradiation damage
Authors: Shao Yang , Wang Yuting , Ju Xin
Published: May 2023

The damage on the surface of optical fibers increases continuously with the increase of irradiation dose. Ce doping prominently improves the performance of high-power Yb-doped fibers under proton irradiation.
State of anion in ethylammonium nitrate enclosed between micrometer-spaced glass plates as studied by 17O and 15N NMR
Authors: Filippov Andrei , Antzutkin Oleg N.
Published: May 2023

Some aprotic and protic ionic liquids (ILs) containing nitrate anion demonstrate unusual dynamic behavior of ions when these ILs are enclosed in micrometer-spaced layers between glass plates.
Correction: Latent spaces for antimicrobial peptide design
Authors: Renaud Samuel , Mansbach Rachael A.
Published: May 2023

Correction for ‘Latent spaces for antimicrobial peptide design’ by Samuel Renaud et al., Digital Discovery, 2023, 2, 441–458, https://doi.org/10.1039/D2DD00091A.
Simple magnesium alkoxides: synthesis, molecular structure, and catalytic behaviour in the ring-opening polymerization of lactide and macrolactones and in the copolymerization of maleic anhydride and propylene oxide
Authors: Wannipurage Duleeka , D'Aniello Sara , Pappalardo Daniela , Kulathungage Lakshani Wathsala , Ward Cassandra L. , Anderson Dennis P. , Groysman Stanislav , Mazzeo Mina
Published: May 2023

New magnesium complexes were used as catalysts for the ring opening polymerization of cyclic esters to produce degradable polymers. In the ROP of macrolactones, good activity and control were achieved at room temperature, conditions generally prohibitive for macrolactones.
Construction of a unique 2D/0D NiO/ZnCdS p–n hetero junction photocatalyst with highly improved photocatalytic H2 generation capacity
Authors: He Gang , Liu Yimin , Gao Runchen , Gan Yufeng , Zhao Wei , Liang Duoqiang , Fujita Toyohisa , Zeng Deqian
Published: May 2023

Uniform ZnCdS nanoparticles anchored on layered NiO nanosheets were fabricated and displayed superior photocatalytic H2 generation capacity under visible light.
A latent reversible ratiometric optical pH sensing probe based on phenylboronic acid for alkaline pH detection and applications in test paper and alkalotic HK-2 cells
Authors: Fang Hufeng , Xu Shan , Gong Jinhong , Tang Lidan , He Xiaomei , Lin Ying , Yang Hao , Yan Kun , Su Dan , Leng Yujing
Published: May 2023

This work proposes a latent alkaline pH sensing probe. Rapid and sensitive multi-medium pH measurements were conducted on test paper and in living cells.
Rh-catalyzed ring-opening coupling of cyclic vinyl ethers with organometallic reagents
Authors: Yin Long , Zhu Wanjiang , Xu Yang , Xing Junhao , Dou Xiaowei
Published: May 2023

Rhodium-catalyzed ring-opening coupling of 2,3-dihydrofuran/benzofuran with organometallic reagents to give Z-homoallylic alcohols and E-stilbenoids was reported.
Well-shaped poly(dimethylsiloxane)-based copolymer nanowires from spherical micelles via kinetic shape evolution
Authors: Ma Xiaoqin , Pan Aizhao , He Fengyi , Huang Shengying , Liang Junyan , He Ling
Published: May 2023

A kinetic shape evolution from assembled spherical micelles to nanowires was proposed by using a PDMS-based block copolymer.
A guided tour through α-helical peptide antibiotics and their targets
Authors: Preußke Nils , Sönnichsen Frank D. , Leippe Matthias
Published: May 2023

Nowadays, not only biologists, but also researchers from other disciplines such as chemistry, pharmacy, material sciences, or physics are working with antimicrobial peptides. This review is written for researchers and students working in or interested in the field of antimicrobial peptides—and especially those who do not have a profound biological background. To lay the ground for a thorough discussion on how AMPs act on cells, the architectures of mammalian and bacterial cell envelopes are described in detail because they are important targets of AMPs and provide the basis for their selectivity. The modes of action of α-helical AMPs (αAMPs) are not limited to different models of membrane permeabilization, but also include the disruption of intracellular processes, as well as the formation of fibrillary structures and their potential implications for antimicrobial activity. As biofilm-related infections are very difficult to treat with conventional antibiotics, they pose a major problem in the clinic. Therefore, this review also discusses the biological background of biofilm infections and the mode of actions of αAMPs against biofilms. The last chapter focusses on the design of αAMPs by providing an overview of historic milestones in αAMP design. It describes how modern αAMP design is aiming to produce peptides suitable to be applied in the clinic. Hence, the article concludes with a section on translational research discussing the prospects of αAMPs and remaining challenges on their way into the clinic.
Comparing feature sets and machine-learning models for prediction of solar flares
Authors: Deshmukh V. , Baskar S. , Berger T. E. , Bradley E. , Meiss J. D.
Published: May 2023

Context. Machine-learning methods for predicting solar flares typically employ physics-based features that have been carefully chosen by experts in order to capture the salient features of the photospheric magnetic fields of the Sun.

Aims. Though the sophistication and complexity of these models have grown over time, there has been little evolution in the choice of feature sets, or any systematic study of whether the additional model complexity leads to higher predictive skill.

Methods. This study compares the relative prediction performance of four different machine-learning based flare prediction models with increasing degrees of complexity. It evaluates three different feature sets as input to each model: a “traditional” physics-based feature set, a novel “shape-based” feature set derived from topological data analysis (TDA) of the solar magnetic field, and a combination of these two sets. A systematic hyperparameter tuning framework is employed in order to assure fair comparisons of the models across different feature sets. Finally, principal component analysis is used to study the effects of dimensionality reduction on these feature sets.

Results. It is shown that simpler models with fewer free parameters perform better than the more complicated models on the canonical 24-h flare forecasting problem. In other words, more complex machine-learning architectures do not necessarily guarantee better prediction performance. In addition, it is found that shape-based feature sets contain just as much useful information as physics-based feature sets for the purpose of flare prediction, and that the dimension of these feature sets – particularly the shape-based one – can be greatly reduced without impacting predictive accuracy.
Clustering of magnetic reconnection exhausts in the solar wind: An automated detection study
Authors: Fargette Naïs , Lavraud Benoît , Rouillard Alexis P. , Houdayer Pierre S. , Phan Tai D. , Øieroset Marit , Eastwood Jonathan P. , Nicolaou Georgios , Fedorov Andrei , Louarn Philippe , Owen Christopher J. , Horbury Tim S.
Published: May 2023

Context. Magnetic reconnection is a fundamental process in astrophysical plasmas that enables the dissipation of magnetic energy at kinetic scales. Detecting this process in situ is therefore key to furthering our understanding of energy conversion in space plasmas. However, reconnection jets typically scale from seconds to minutes in situ, and as such, finding them in the decades of data provided by solar wind missions since the beginning of the space era is an onerous task.

Aims. In this work, we present a new approach for automatically identifying reconnection exhausts in situ in the solar wind. We apply the algorithm to Solar Orbiter data obtained while the spacecraft was positioned at between 0.6 and 0.8 AU and perform a statistical study on the jets we detect.

Methods. The method for automatic detection is inspired by the visual identification process and strongly relies on the Walén relation. It is enhanced through the use of Bayesian inference and physical considerations to detect reconnection jets with a consistent approach.

Results. Applying the detection algorithm to one month of Solar Orbiter data near 0.7 AU, we find an occurrence rate of seven jets per day, which is significantly higher than in previous studies performed at 1 AU. We show that they tend to cluster in the solar wind and are less likely to occur in the tenuous solar wind (< 10 cm−3 near 0.7 AU). We discuss why the source and the degree of Alfvénicity of the solar wind might have an impact on magnetic reconnection occurrence.

Conclusions. By providing a tool to quickly identify potential magnetic reconnection exhausts in situ, we pave the way for broader statistical studies on magnetic reconnection in diverse plasma environments.
Development of the technological system of creating an electronic map of agriculture using GIS technology
Authors: Oymatov Rustam , Reymov Mamanbek , Narbaev Sharafiddin , Bakhriyev Mukhammad , Maksudov R. , Salimova B.
Published: May 2023

This article discusses the scientific and practical issues of developing a technological system for creating electronic agricultural maps as a result of field research and the design of thematic maps, as well as the analysis of creation methods. One of the critical issues is the widespread use of cartographic support methods in agricultural sector research and analysis. In this regard, including the study of agricultural, natural, and socioeconomic problems related to the development of the economy in the world’s developed countries, agricultural electronic maps provide reliable information about the territory. The current cartographic tasks are given special consideration.
Faults detection using thermal runaway criteria on different reaction kinetics
Authors: Kouhili Youssef , Vernieres-Hassimi Lamiae , Estel Lionel
Published: May 2023

During the operation of chemical reactors, a failure in the cooling system can lead the reactor to operate under the risk of thermal runaway. The present work proposes a study of failure detection, using the divergence criterion and the Thomas and Bowes criterion. In order to evaluate the detection performance, two exothermic reactions with different kinetics were chosen, and the results show that Thomas and Bowes criterion detects earlier the failures than the divergence criterion. However, Thomas and Bowes may present false alarm about the risk of thermal runaway.
Development of an EMS dedicated to the control of a solar power plant, coupled with a thermal battery
Authors: Hétreux Gilles , Mallier Lise
Published: May 2023

The introduction of Renewable and Recoverable Energies (R&R) into the energy mix is one of the major levers for reducing CO2 emissions, particularly for heat production. For To this end, energy systems must be put in place based in particular on innovative thermal storage technologies. The purpose of this communication is to present the MERLIN modelling/optimization environment (Hétreux G., 2022) which offers software components allowing the development of applications to help with dimensioning and operational management of multi-energy systems. By way of illustration, these tools are implemented through the study of a system composed of a concentrated solar power plant and a storage used to supply hot air to a food drying oven.
Study of microwave cooking of legumes with excess water: The case of chickpeas
Authors: de Albuquerque Clarissa Detomi , Carrey Paul , Bohuon Philippe , Cuq Bernard
Published: May 2023

In the context of the agro-ecological transition towards sustainable systems, legumes are a real opportunity in terms of agronomy and nutrition. The development of vegetable seed consumption is currently hampered by the problem of the long hydration and cooking stages of current processes. Low CO2 emission processes, such as microwave treatment, are preferred. The efficiency of these processes relies on the transformation of the energy contained in an electromagnetic wave into heat within materials with dielectric losses. The objective of the presented work is to study the evolution of the characteristics of leguminous seeds during the operation of cooking in excess of water by microwave treatment. Kinetics of texture modification and mass gain of the seeds were performed for three different levels of microwave power (between 400 and 1200 W) and compared to hot plate cooking. Empirical models by multi-parameter equations were proposed and validated by a 1000 W treatment. The results show that the evolution of hardness and mass gain is strongly related to the evolution of mass transfer coupled with volume heat transfer phenomena, specific to electromagnetic wave heating. Two different profiles of hardness and mass gain were observed depending on the type and intensity of the treatment. This work is a preliminary experimental study allowing to express hypotheses, which will be validated later by a more thorough study.
Chemo-, Regio-, and Stereoselective Access to (E)-Boryl-Substituted Allyl Fluorides via Electrophilic Fluorodesilylation
Authors: Cho Seung Hwan , Jung Yongsuk
Published: May 2023

Herein, we report a transition-metal-free chemo-, regio-, and stereoselective electrophilic fluorodesilylation of α-silyl-substituted allylboronate esters. α-Silyl-substituted allylboronate esters can be chemoselectively coupled with Selectfluor, resulting in a variety of (E)-boryl-substituted allyl fluorides in good yields with γ- and (E)-selectivities. The utilities of the obtained (E)-boryl-substituted allyl fluorides are highlighted by further modifications to afford allyl or alkyl fluoride derivatives.
Comparison of Diastereoselective ortho-Metalations and C–H ­Activations of Chiral Ferrocenes
Authors: Šebesta Radovan , Čarný Tomáš
Published: May 2023

Chiral ferrocene derivatives possessing a planar stereogenic unit are important as chiral catalysts and materials. The principle method to obtain 1,2-disubstituted planarly chiral ferrocenes is base-mediated ortho-metalation performed on a chiral ferrocene derivative, typically using organolithium bases. A multitude of chiral ligands and other useful compounds have been synthesized by using this methodology. Newer methodologies employing transition-metal-catalyzed C–H bond activation strategies complement ortho-metalation methods and affords access to different types of planar chiral ferrocene derivatives.

1 Introduction

2 Base-Mediated ortho-Deprotonations

3 Diastereoselective C–H Activations

4 Examples of Enantioselective C–H Activations

5 Conclusions