bluuebunny/crossref_metadata_2025 huggingface dataset:
Temporal bone squamous cell carcinoma: Aggressive behavior coursing with cerebellar invasion and hydrocephalus
Authors: de Castro Maria Eduarda Rosário Viveiros , Ferreira-Pinto Pedro Henrique Costa , de Oliveira Ferreira Domênica Baroni Coelho , Brito Ana Carolina Gonçalves , Parise Maud , Correa Eduardo Mendes , Cruz Thaina Zanon , de Freitas Wesley Klein Nunes , de Gouvea Pedro Luiz Ribeiro Carvalho , da Silva Wellerson Novaes , de Sousa Bruna Cavalcante , Videira Hannah Ferreira Machado , Parra Guilherme Freitas , Nigri Flavio
Published: March 2024

Background:

Temporal bone squamous cell carcinoma (TBSCC) is a very rare condition. The prognosis is dismal for advanced tumors. Due to its rarity, information in the literature is scarce. Here, we report a unique case of TBSCC with cerebellar invasion and hydrocephalus.

Case Description:

A 46-year-old reported right-sided hearing loss and a painful right retroauricular mass for 4 months. Magnetic resonance imaging revealed a 8.7 × 7.6 × 6.4 cm mass invading the right temporal and occipital bones. After a biopsy and 3 surgical procedures over 6 months, the diagnosis of TBSCC was obtained. Due to invasion of the cerebellar tissue and obstructive hydrocephalus, a ventriculoperitoneal shunt was performed. The patient was referred for adjuvant radiotherapy. However, palliative care was initiated due to tumor progression.

Conclusion:

We report a case of advanced TBSCC with poor prognosis despite surgical treatment and radiotherapy. More data are necessary to provide new and better treatment to these patients.
Comparison of propofol and desflurane for postoperative neurocognitive function in patients with aneurysmal subarachnoid hemorrhage: A prospective randomized trial
Authors: Mahajan Shalvi , Sharma Tanavi , Panda Nidhi Bidyut , Chauhan Rajeev , Joys Steve , Sharma Nanish , Mohanty Manju , Singla Navneet , Kumar Sanjay , Kumar Ashok , Bhagat Hemant
Published: March 2024

Background:

Following aneurysmal subarachnoid hemorrhage, 40–50% of survivors experience cognitive dysfunction, which affects their quality of life. Anesthetic agents play a pivotal role in aneurysm surgeries. However, substantial evidence regarding their effects on neurocognitive function is lacking. This study evaluated the effects of propofol and desflurane on postoperative neurocognitive function and serum S-100B levels.

Methods:

One hundred patients were equally randomized to receive either propofol (Group P) or desflurane (Group D). Cognitive function was assessed using the Montreal Cognitive Assessment scale at three different time points: Preoperatively, at the time of discharge, and one month after surgery. Perioperative serum levels of S-100B were also measured.

Results:

The preoperative mean cognitive score in Group P was 21.64 + 4.46 and in Group D was 21.66 + 4.07 (P = 0.79). At discharge, a significant decrease in cognitive scores was observed compared to preoperative scores (Group P- 20.91 + 3.94, P = 0.03 and Group D-19.28 + 4.22, P = 0.00); however, scores were comparable between the two groups (P = 0.09). One month following surgery, mean cognitive scores were 22.63 + 3.57 in Group P and 20.74 + 3.89 in Group D, and the difference was significant (P = 0.04). Higher memory and orientation scores were observed in Group P than in Group D at one month (P < 0.05) in the subgroup analysis. Both groups had similar serum S-100B levels.

Conclusion:

The mean cognitive scores one month after surgery improved significantly with propofol compared with desflurane, but without clinical significance. Individual domain analysis demonstrated that orientation and memory scores were better preserved with propofol.
Correlation Between Demographic Features and PD-L2 Expression in Mucoepidermoid Carcinoma of Salivary Glands
Authors:   University of Health Sciences, Lahore, Zafar Ifrah , Anjum Rabia , Chaudhry Saima
Published: March 2024

OBJECTIVE: This study was conducted to determine PD-L2 expression and its association with grading in patients with mucoepidermoid carcinoma METHODOLOGY: : This descriptive study was conducted over a period of 1 year after taking approval from Institutional Ethical Review board. A total of twenty-four cases of MEC were recruited from different tertiary health care hospitals in Lahore and Multan. Data consisting of demographics and clinical features was collected. Histopathological analysis was done according to Seethala's grading system. Immunohistochemistry (IHC) was performed to observe PD-L2 expression. Data was analyzed by using SPSS 25 RESULTS: : The mean age was 30.08±12.8 years and there were 41.7% males and 58.3% females. Most common site of involvement was found to be parotid gland. A total of (54.2%) cases were of low grade. Strong PD-L2 expression was observed in 12(50%) cases while in 5(21%) cases there was week expression. No significant association of PD-L2 expression with grade of tumor was observed. CONCLUSIONS: Among salivary gland tumors, Mucoepidermoid carcinoma is emerging as most frequently diagnosed malignancy. These tumors originate mainly from parotid glands usually during fourth decade of life. As preliminary data generated from current research has highlighted the expression of PD-L2 in malignant MEC. The expression of PD-L2 was observed in all of the tissue specimens in the current study as detected through IHC irrespective of the grade of the tumor KEYWORDS: Programmed cell Death 1 Ligand 2 (PD-L2), Mucoepidermoid Carcinoma (MEC), ImmunohistoChemistry (IHC).
Cephalometric Association Between Various Shapes of Soft Palate with Different Growth Pattern and Age Groups in Skeletal Class I, II and III Malocclusion
Authors:   Liaquat College of Medicine and Dentistry, Karachi, Pakistan, Ismail Naqqash , Shaikh Attiya , Khan Shujah Adil
Published: March 2024

OBJECTIVE:The aim of this study was to find cephalometric association between various shapes of soft palate with different growth pattern and age groups in skeletal class I, II and III malocclusion METHODOLOGY:The pretreatment lateral cephalograms of 382 patients was collected from the department of Orthodontics, Liaquat College of Medicine & Dentistry, Karachi. The study included 96 males and 286 females between the ages of 11 to 30 years. All the patients were divided according to skeletal classification of malocclusion. The type of skeletal malocclusion, growth pattern and the morphological variations of soft palate were assessed. The differences in the proportion of soft palate morphology among skeletal malocclusion and growth pattern were calculated. Variation of the soft palate morphology among the genders and different age groups were also determined. RESULTS: Subjects with Type 1 "leaf-shaped" soft palates were more prevalent (43.2%) whereas, The Type 4 "Straight-line" soft palate was least common (2.9%). Type 1 "leaf-shaped" soft palate was the most common in all skeletal malocclusion classes, growth pattern types and both genders CONCLUSIONS: This study found significant association between soft palate morphology with type of skeletal malocclusion and gender. No significant association found between soft palate morphology and types of growth pattern KEYWORDS: soft palate shapes, growth pattern, age groups, skeletal malocclusion, lateral cephalogram.
Prosopis juliflora invasions and ecological dominance in the sacred groves of Western Haryana, India
Authors: Jakhar Somveer , Dhiman Himanshi , Punia Harish , Saharan Harikesh , Boora Aman
Published: March 2024

The present study was conducted in the sacred groves of Haryana in the semi-arid regions. Prosopis juliflora is one of the most common invasive plant species and has varying degrees of ecological consequences. In Haryana, the vast semi-arid conditions has ideally favoured the invasion of P. juliflora including the sacred groves of the State. Therefore, the present study investigated the population structure of the P. juliflora in the two sacred groves of Haryana i.e. Daya (SG-I) and Kharkada (SG-II) with different degrees of invasion. The impact of the invasive tree on the native flora was also examined by the assessment of different ecological parameters like analytical characteristics of vegetation along with four diversity indices (Shannon-Weiner Index, Simpson Index, Pielou Index and Margalef Index). The results of the study revealed that the sacred grove with low Prosopis invasion (SG-I) had high density and Basal area of native plant species as having significant values for the selected diversity indices and thus is better flourished in comparison to the highly invaded site (SG-II). It can be concluded that the native phytodiversity of the sacred groves of Haryana is in peril due to increasing P. juliflora invasion, thus efficient management strategies are required in this direction.
Toxicity evaluation of a strain isolated from pollack digestive tract using Paramecium caudatum
Authors: Song-guk Rim , Chol Hong , Yong-jin Ri , Kyong-ryong Nam , Hui-won Kim
Published: March 2024

A strain was isolated from the digestive organs of Walleye pollack residing in the East Sea of the DPR Korea, which not only produces cryophilic protease, organic acid but also has intestinal adhesion property and bacteriostatic activity against pathogens. The strain was classified and identified as Pseudomonas fragi by genetic system classification methods and registered as KCCC 10110 at the Korean Centre for Culture Collection (KCCC) of the State Academy of Sciences, DPR KOREA. In vivo and in vitro toxicity of Pseudomonas fragi KCCC 10110 was evaluated using Paramecium caudatum. In the treatments with P. fragi KCCC 10110, Bacillus subtilis KCCC 11214 and Lactobacillus lactis KCCC 13208, all of these being well known as non-toxic and probiotic for animals and fishes, higher microbial counts and normal movement of P.caudatum were observed while significant lower cell numbers and abnormal movement of P.caudatum were shown in the treatments with pathogenic strains Clostridium tetani 473, Salmonella typhosa 901 and Aeromonas punctata 823. These results suggest that probiotic and pathogenic bacteria have different influence on Paramecium caudatum and that the strain isolated from Walleye pollack digestive tract is non-toxic.
In silico Identification and Characterization of WRKY Superfamily in Capsella rubella
Authors: Gupta Dipinte , Saraswat Pooja , Waswani Hunny , Kumar Sunil , Ranjan Rajiv
Published: March 2024

Plants undergo several processes throughout their life cycle such as growth, development and response to environmental stresses which require a series of signaling events regulated by transcription factors. WRKY is one of the most studied transcription factors. In this study, we analyzed 68 genes of WRKY superfamily in Capsella rubella. All the genes were studied for their phytochemical properties which include molecular weight, no. of amino acids, theoretical pI, N-glycosylation site, conserved motifs and homology modeling. A phylogenetic relationship was also established among the accessions by using MEGA6 software. The physiochemical properties revealed the no. of amino acids ranging from 149 (Probable WRKY transcription factor 45) to 1411 (disease resistance protein RRS1) while the molecular weight varies between 17.28 (Probable WRKY transcription factor 45) to 159.39 (Disease resistance protein RRS1). Based on subcellular prediction, all the proteins were predicted to be localized in the nuclear region. In addition, the 68 WRKY proteins analyzed for phylogenetic relationships had shown the existence of one major Clade and one minor Clade. In conserved domain study using web-based software tool MEME, Motif 2 was found to be highly conserved as it is present in all accessions while motif 10 was found to be least conserved i.e. found in only 4.41% accessions. Our result provides a framework for future stress related studies in Capsella rubella in the field of plant biotechnology.
A comprehensive review of the ecological significance, pharmacological potential and economic importance of Samanea saman
Authors: Krupa S. , Rao Gnanesh , Laksmikanth N. , Mohan N.
Published: March 2024

Samanea saman belongs to the Leguminosae family commonly known as rain tree. The phytochemical screening of S. saman revealed the presence of many secondary metabolites such as alkaloids, pithecolobine and saponin (Samarin) which have been used for the treatment of different diseases. Natural products from plants have been used as therapeutic drugs throughout the world. This review is mainly focused on the morphology, distribution and phytochemicals contributing to the pharmacological properties of S.saman.
Music for Wind Instruments in Modern China
Authors: Weijia Xu
Published: March 2024

The article gives a brief excursion into the history of the development of music for wind instruments in China. The author notes that the fi rst compositions were created on the basis of folk songs and were arrangements. Since the 1980s, Chinese composers, along with transcriptions of songs, instrumental melodies and musical material from operas, have been writing original works for wind instruments and incorporating modern techniques into them, combining national elements with European innovations.
Programmatic Cycles for Piano in the Creative Heritage of Wang Lisan
Authors: Vorobyeva Olga A. , Wa Qu
Published: March 2024

This article is an anniversary dedication to one of the most signifi cant Chinese composers, Wang Lisan (1933–2013). Along with Ding Shande, Wang Jianzhong, Chu Wanghua, Zhao Xiaosheng, he can be called a classic of Chinese music of the 20th century. The main part of the composer’s creative achievements is associated with the piano art. A special sign of recognition of the artistic merits of his compositions was their inclusion in the mandatory repertoire of the All-China Qualifying Music Exam confi rming the highest levels. The main objective of the article is to determine the specifi cs of the composer’s interpretation of the programmatic cycle, to identify the fi gurative and content-related features of genre samples and the principles of cycle formation that are important for the composer.
Signs of the Style of Early Romances by N. S. Golovanov
Authors: Lin Lin
Published: March 2024

Abstract. The article is devoted to the early romances of N. S. Golovanov, a great Russian and Soviet conductor and composer, who, due to circumstances, is not familiar to the general public. The work explores a wide range of stylistic features of the composer’s music and the infl uence of the contemporary composers’ styles, often very contradictory, on his work. Golovanov’s legacy is explored within the framework of the synthesis of the Russian classical tradition and modernist movements of the early 20th century. The principles of choosing a poetic basis and the genre sphere of their implementation are studied.
Images of National Poetry in Works of Chinese Composers (the case of art songs by composer Lu Zaiyi)
Authors: Ruoqi Wang
Published: March 2024

The article examines the images of national poetry in the works of Chinese composers using the creative work of Lu Zaiyi as an example. He is one of the brightest representatives of the vocal composing art. The author notes that the images of national poetry are vividly embodied through the composer’s style, through special attention to words, as well as through a sensitive combination of vocal and piano parts.
The Refl ection of the Timbre Characteristics of Chinese Folk Instruments in Piano Works by the Chinese Composer Chu Wanhua
Authors: Jia Geng
Published: March 2024

The article discusses Chinese piano music and the refl ection of the timbre features of Chinese folk instruments in it. The author of the article focuses on the work of the outstanding Chinese composer Chu Wanhua as very revealing regarding the refl ection of the timbres of Chinese folk instruments in the piano sound. In his research, the author focuses on the composer’s three piano works. As a result of the work, the researcher comes to the conclusion that the refl ection of the timbre features of Chinese folk instruments in the piano works of Chinese composers is a way to preserve and enrich the piano music of the Celestial Empire. Chu Wanhua managed to create such works for piano (fi rst of all, “My Homeland” piano concerto), in which adherence to traditions is organically combined with modern composing techniques. The composer masterfully “weaves” the achievements of Western European pianistic art into the national musical tradition, demonstrating brilliant imitation of the timbres of Chinese folk instruments and outlining the ways of development of Chinese piano art.
The Concerto for Piano and Orchestra in the Works of Scandinavian Composers (1890–1900s)
Authors: Tomashevsky Igor V. , Konnov Vladimir P.
Published: March 2024

t. The article is devoted to the historical fate of Austro-German musical Romanticism in the musical cultures of the Scandinavian region of Denmark and Norway, where Romantic traditions found their viability in the piano concerto genre. The research material was the works of the Dane Emil Hartmann and the Norwegian master Halfdan Cleve, highly valued by the authors’ contemporaries. The article traces in detail the concertos’ belonging to the traditions, in the fi rst case, of early (Mendelssohn, Schumann, Chopin), and in the second case, late Romanticism (which was indicated by reminiscences and allusions of musical material and musical composition techniques). The undoubted artistic value, originality and national peculiarity of the works are postulated, worthy not only of research attention, but also of sensitive, careful performing interpretation and revival in the conditions of the multipolar world musical culture of our days.
The Integration of National and Western Percussion Instruments in Terms of Traditional Opera Music
Authors: Chao Wang
Published: March 2024

National instruments of China, including percussion, have a long history of development, however, with the beginning of the era of openness, Western percussion began to be actively used in musical culture. As part of the article, the author analyses the history of the integration of national and Western percussion instruments and their use in Peking opera music. The relevance of the study is determined by the lack of special studies in the Russian-language literature on the integration of Chinese and Western percussion accompanied by opera productions in China.
Features of the Formation of Artistic Means and Techniques of Traditional Chinese Silk Embroidery
Authors: Zongsui He
Published: March 2024

The history of the embroidery art in China is at least two thousand years old. During this time, the methods of performing compositions, their purpose, motives, and means of artistic expression were changing. The plastic and technical transformations that occurred with silk embroidery led Chinese masters to creating works that were close in their characteristics to the images of traditional Chinese painting. Based on the surviving embroideries and their fragments, which were created during the period from the reign of the Shang dynasty to the end of the Qing reign, the author of the paper examines the fi gurative specifi cs, as well as the artistic techniques and methods of their implementation. The main task is to show how the visual language of Chinese masters and the corresponding technical features have changed.
The Piano Suite “Pushkin Tales” by Sergey Banevich
Authors: Zixin Liu
Published: March 2024

The article provides an analysis of the remarkable piano suite by the Saint Petersburg composer S. Banevich. The creative achievements of Banevich in the fi eld of creating music for children and youth are briefl y characterised. It is noted that in the children’s piano repertoire there are relatively few works devoted to Pushkin’s fairy tales. The author of the paper reveals the signifi cance of the “Pushkin Tales” suite for expanding the artistic horizons of students and enriching their programmes. The emphasis is on the analysis of Banevich’s system of performing instructions, as well as on the consideration of each of the suite’s pieces from the programmatic, artistic and methodological positions.
Features of Vocalist Li Huiqiao’s Interpretation of Some Works by R. Strauss
Authors: Jingzhi Huang
Published: March 2024

. In the history of world music, there are many bright musical trends that stand out for their uniqueness and originality. One of these trends is German chamber vocal music, distinguished by its emotional depth and grace of performance. The greatness of this genre’s art has inspired many musicians around the world, including 20th-century Chinese performers, to interpret and recreate its sound. At fi rst glance, the Chinese musical tradition and German chamber music seem to be different in terms of aesthetic and cultural concepts, as well as unique musical instruments and performance techniques. However, it is in this contradiction and interaction that the vocal unique strength lies. Chinese performers of the 20th century, being outstanding musicians and artists of their time, not only refl ected the cultural heritage of their country, but also sought cultural enrichment through the perception of other musical traditions. It was in this context that they turned their attention to German chamber vocal music, whose value lies in its depth and emotional power.
APPLICATION OF THE “PILLAR-FREE GAVIT” PRINCIPLE IN RUSSIAN CHURCH ARCHITECTURE
Authors: VLADIMIRKINA NATALIA
Published: March 2024

The article analyses the experience of using the constructive technique of intersecting arches (according to the “gavit principle”), originating from Armenian medieval architecture, in Russian architecture of the second half of the 19th century - 20th century and at the turn of the 21st century. The author considers the experience of understanding this constructive ceiling system in the practice of modern church construction.
Treatment of allergic asthma – new perspectives and therapeutic approaches
Authors: Bănărescu Camelia‑Felicia , Panaitescu Carmen
Published: March 2024

Asthma management has changed fundamentally over the past two decades. Central to these advances have been the further elucidation of the T2 mechanisms of airway inflammation and the use of biomarkers. In addition, epithelial cells are proving to be important contributors to inflammation by generating alarmins to initiate local lesions, as well as downstream pathways. International guidelines attest to the efficacy of inhaled corticosteroids in combination with long-acting β2-agonists for both control and as-needed treatment. Revolutionizing the approach to severe asthma, five biologics, such as mepolizumab, benralizumab, reslizumab, dupilumab and tezepelumab, have joined omalizumab, significantly contributing to the prevention of exacerbations and reducing the need for systemic corticosteroids, thus minimizing their side effects. For patients with allergic asthma, one of the most common asthma phenotypes, allergen immunotherapy can be an effective adjunctive treatment alongside pharmacological therapy. This review explores the integrated modalities for symptoms control and quality of life improvement in patients with asthma and aims to provide insight into current recommendations for therapies targeting the inflammatory pathway in allergic asthma, as well as the importance of combining allergen immunotherapy on disease progression.
Allergen immunotherapy in allergic asthma
Authors: Moldovan Sandra‑Iulia , Panaitescu Carmen
Published: March 2024

Allergen immunotherapy (AIT) is a specific treatment consisting of repeated administration of allergens with the aim of inducing immunological tolerance. It comprises two subtypes: subcutaneous immunotherapy (SCIT) and sublingual immunotherapy (SLIT). According to multiple studies, AIT improves the clinical symptoms, reduces airway hyperresponsiveness, improves asthma control and reduces the need for inhaled corticosteroids (ICS). In addition, this therapy is able to suppress sensitization to new allergens, and if given to patients with allergic rhinitis may even prevent the development of asthma. The effects caused by AIT may be visible for at least several years, even after the therapy has ended (Nakagome et al., 2021).
The pre-quantum atomic theory told by experiments
Authors: Sipala Massimiliano
Published: March 2024

A survey was conducted among chemistry students and graduates of any level about atomic theory before quantum. The incorrect answers recorded show the students have many misconceptions about the origin of atomic theory and how the existence of atoms and molecules was first demonstrated. These results have suggested a clarification on the subject is needed. Here, the basic concepts of atomic theory are told again, presenting the historical crucial experimental demonstrations with vapor densities, elemental analysis, and calorimetry, based on Avogadro and Cannizzaro's main works. The article addresses those who want to fill in their missing knowledge on this subject or to fix incorrect ideas. The article is also proposed as a guideline for chemistry teachers who wish to implement those experimental demonstrations in their laboratory classes, which is highly recommended to avoid atomic theory misconceptions to persist in future chemistry graduates.
Photosulfoxidation catalysis as the driving principle for the deazaoxaflavin photoredox catalyst formation
Authors: Křížová Karolína , Ismail Rimeh , Geleverya Anna , Guerra Valentino , Kovaricek Petr
Published: March 2024

Catalysts are essential for sustainability because they decrease the energy and resource consumption in the production of high value-added products. The design of a novel catalyst is a challenging and expensive target, and a simplified methodology for catalyst development can trigger burgeoning progress in both academic and applied research. Here, we demonstrate a reaction network that autonomously yields the photoredoxcatalyst for transformation of the provided substrate under applied catalytic conditions. The system stems from the reversible condensation pathway leading to deazaoxaflavins, 2H-chromeno[2,3-d]pyrimidine synthetic analogs of flavins, with which they share photoorganocatalytic activity. We report on the photocatalytic activity of deazaoxaflavins and their covalently dynamic behavior. The reversibility principle allows for the exchange of one of the deazaoxaflavin constituents for a different moiety, thus leading to the adaptability of the catalyst. We argue that the observed phenomenon is of thermodynamic origin and thus can be applied to other photo/organocatalytic reactions, in which the combination of a suitable substrate and conditions are the governing principle for catalyst formation.
Mapping hydrogen initiatives in Italy: An overview of funding and projects
Authors: Gandiglio Marta , Marocco Paolo
Published: March 2024

The global momentum towards hydrogen has led to various initiatives aimed at leveraging hydrogen’s potential. Particularly, low-carbon hydrogen is recognized for its crucial role in reducing greenhouse gas emissions across hard-to-abate sectors such as steel, cement and heavy-duty transport. This study focuses on presenting all the funding initiatives in Italy, providing a comprehensive overview of the diverse hydrogen-related activities and their geographical locations. The funding investigated stem from the National Recovery and Resilience Plan (PNRR), projects directly funded through the Important Projects of Common European Interest (IPCEI), and various initiatives supported by private companies or other funding sources (hydrogen valleys). Specific calls for proposals within the PNRR initiative outline the allocation of funds, emphasizing hydrogen production in brownfield areas (52 expected hydrogen production plants by 2026), hydrogen use in hard-to-abate sectors, and the establishment of hydrogen refuelling stations for road (48 refuelling stations by 2026) and railway transport (10 hydrogen-based railway lines). An in-depth description of funded initiatives covering geographical location, typology, and size (when available), as well as the funding they have received, is presented, by collecting data on about approximately 150 funded initiatives. This overview sheds lights on regions focusing on heavy-duty transport decarbonisation, particularly along cross-borders commercial routes, as evident in northern Italy. Conversely, some regions concentrate more on local transport, typically buses, or on the industrial sector, primarily steel and chemicals. Additionally, the study presents initiatives aimed to strengthen the national manufacturing capacity for hydrogen-related technologies, alongside with new regulatory and incentive schemes for hydrogen. The ultimate goal of this analysis is to foster connections among existing and planned projects, stimulate new initiatives along the entire hydrogen value chain, grow awareness in stakeholders about hydrogen, and promote cooperation and international competitiveness.
Identifying Site-Specific Crosslinks Originating from a Genetically Incorporated, Photoreactive Amino Acid
Authors: Ulmer Lindsey , Canzani Daniele , Woods Christopher , Stone Natalie , Janowska Maria , Klevit Rachel , Bush Matthew
Published: March 2024

In traditional crosslinking mass spectrometry, proteins are crosslinked using a highly selective, bifunctional chemical reagent, which limits crosslinks to residues that are accessible and reactive to the reagent. In this study, we employ an alternative approach using benzoylphenylalanine (BPA), a photoreactive amino acid, incorporated into a disordered region of the human protein HSPB5. BPA is incorporated at specified sites at the time of protein expression, enabling the targeting of any site, including those that are inaccessible to conventional crosslinking reagents. BPA can react with all amino acids, which also overcomes limitations of selective reactivity. However, this broad reactivity imposes additional challenges for crosslink identification. We report and characterize the experimental methods and informatics pipeline used to identify and visualize residue-level interactions originating from BPA. We routinely identify 30 to 300 crosslinked peptide spectral matches with this workflow, depending on the site of BPA incorporation. Most identified crosslinks are assigned to a precision of one or two residues, which is supported by a high degree of overlap between technical replicates. Based on these results, we anticipate that this approach will be a powerful, general strategy for characterizing the structures of proteins that have resisted high-resolution characterization, including disordered and heterogeneous proteins.
NH3-SCR over Fe/SSZ-13 catalyst prepared by modification of natural chabazite
Authors: SHAHID AMEEN , Ahmad Nabeel , Ahmad Nouman , Ahmad Sher
Published: March 2024

Natural zeolites are typically found in abundance in various geological formations, including volcanic and sedimentary rocks. The properties of these natural chabazites such as crystallinity, surface area, and composition can be tailored to enhance their catalytic properties. In this work, the low-crystalline natural chabazite containing iron was transformed into a highly crystalline Fe/SSZ-13 catalyst by hydrothermal synthesis. The initial and modified samples were subjected to various characterization techniques, including XRD, N2-physisorption, ICP-OES, and SEM, to measure their crystallinity, porosity, elemental composition and morphology. The characterization results reveal that the modification of natural chabazite enhanced the crystallinity and surface area of the sample, resulting in the incorporation of iron within the micropores of SSZ-13 zeolite. Their catalytic activities were evaluated at varying temperatures, and the resulting Fe/SSZ-13 catalyst showed high activity in the NH3-SCR reaction.
Understanding Boron Chemistry as the Surface Modification and Electrolyte Additive for Co-free Lithium-Rich Layered Oxide
Authors: Park Na Ri , Zhang Minghao , Han Bing , Dang Bryant , Li Weikang , Qian Kun , Nguyen HongNam , Kumakura Shinichi , Zhou Wendy , Meng Ying
Published: March 2024

Lithium-rich layered oxide (LRLO) stands out as a highly promising cathode material for the next generation of Li-ion batteries, owing to its exceptional lithium storage capacity. The absence of cobalt in LRLO's composition provides an additional advantage, enabling cost-effective production and thereby improving the feasibility of large-scale manufacturing. Despite these promising attributes, LRLO has encountered challenges related to poor cycling performance and severe voltage decay, impeding its practical application. In addressing these challenges, we employ a surface modification technique involving lithium borate (LBO) through a dry coating method. The LBO-coated LRLO exhibits a uniform surface layer with a thickness of 15 nm. Furthermore, the performance of LBO-coated LRLO in a full cell is synergistically enhanced when combined with lithium bis(oxalato)borate (LiBOB) as an electrolyte additive. A discharge capacity retention of 82% is achieved after 400 cycles at room temperature. These substantial improvements are attributed to the continual reaction between boron species on the LRLO cathode surface and PF6- anions in the electrolyte. This reaction generates BF4- and suppresses HF acid formation during the high voltage charging process, demonstrating LRLO's potential for practical implementation.
High-efficiency 99Tc separation from contaminated liquid waste using some anion exchange resins
Authors: DAS DEBASISH
Published: March 2024

99Tc removal from contaminated aqueous solution was explored using some commercially available anion exchange resins with various specifications. Various combinations of physicochemical parameters like polymeric network, pore diameter, percent cross-linking, bead size etc. were selected to appraise their impact on 99Tc uptake. Fundamental extraction properties such as effect of solution pH, equilibration time, effect of temperature were determined for obtaining the optimum extraction condition. The resins were characterized using BET, SEM, EDS, XPS, TG, FTIR spectroscopy to decipher the structure-extraction correlation and extraction mechanism. In order to quantify the loading capacity (745 mg/g as maximum) and ascertain the reaction mechanism, non-radioactive surrogate of TcO4-, i.e, ReO4- have been used. ReO4- quantity in solution was measured using UV-Vis spectrophotometry with λmax at 204 nm. 4M HNO3 was found be an effective reagent towards desorption from the loaded resins. The capture performance was found to deteriorate with γ-radiation particularly at higher absorbed dose (500 kGy onwards). Competition studies with most common anions found in ground water as well as soil such as Cl-, NO3-, SO42-, CO32-, PO43- indicate that, even in presence of high concentration (1:10000 molar ratio) of these interfering anions, TcO4- can be selectively extracted by the resins confirming their effectiveness towards the decontamination of real ground water with respect to 99Tc.
Coupled-Cluster Treatment of Complex Open-Shell Systems: The Case of Single-Molecule Magnets
Authors: Alessio Maristella , Paran Garrette Pauley , Utku Cansu , Grueneis Andreas , Jagau Thomas-C.
Published: March 2024

We investigate the reliability of two cost-effective coupled-cluster methods for computing spin-state energetics and spin-related properties of a set of open-shell transition-metal complexes. Specifically, we employ the second-order approximate coupled-cluster singles and doubles (CC2) method and projection-based embedding that combines equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) with density functional theory (DFT). The performance of CC2 and EOM-CCSD-in-DFT is assessed against EOM-CCSD. The chosen test set includes two hexaaqua transition-metal complexes containing Fe(II) and Fe(III), and a large Co(II)-based single-molecule magnet with a non-aufbau ground state. We find that CC2 describes the excited states more accurately, reproducing EOM-CCSD excitation energies within 0.05 eV. However, EOM-CCSD-in-DFT excels in describing transition orbital angular momenta and spin-orbit couplings. Moreover, for the Co(II) molecular magnet, using EOM-CCSD-in-DFT eigenstates and spin-orbit couplings, we compute spin-reversal energy barriers, as well as temperature-dependent and field-dependent magnetizations and magnetic susceptibilities that closely match experimental values within spectroscopic accuracy. These results underscore the efficiency of CC2 in computing state energies of multi-configurational, open-shell systems and highlight the utility of the more cost-efficient EOM-CCSD-in-DFT for computing spin-orbit couplings and magnetic properties of complex and large molecular magnets.
AutoTemplate: Enhancing Chemical Reaction Datasets for Machine Learning Applications in Organic Chemistry
Authors: Chen Lung-Yi , Li Yi-Pei
Published: March 2024

This paper presents AutoTemplate, an innovative data preprocessing protocol, addressing the crucial need for high-quality chemical reaction datasets in the realm of machine learning applications in organic chemistry. Recent advances in artificial intelligence have expanded the application of machine learning in chemistry, particularly in yield prediction, retrosynthesis, and reaction condition prediction. However, the effectiveness of these models hinges on the integrity of chemical reaction datasets, which are often plagued by inconsistencies like missing reactants, incorrect atom mappings, and outright erroneous reactions. AutoTemplate introduces a twostage approach to refine these datasets. The first stage involves extracting meaningful reaction transformation rules and formulating generic reaction templates using a simplified SMARTS representation. This simplification broadens the applicability of templates across various chemical reactions. The second stage is template-guided reaction verification, where these templates are systematically applied to validate and correct the reaction data. This process effectively amends missing reactant information, rectifies atom-mapping errors, and eliminates incorrect data entries. A standout feature of AutoTemplate is its capability to concurrently identify and correct false chemical reactions. It operates on the premise that most reactions in datasets are accurate, using these as templates to guide the correction of flawed entries. The protocol demonstrates its efficacy across a range of chemical reactions, significantly enhancing dataset quality. This advancement provides a more robust foundation for developing reliable machine learning models in chemistry, thereby improving the accuracy of forward and retrosynthetic predictions. AutoTemplate marks a significant progression in the preprocessing of chemical reaction datasets, bridging a vital gap and facilitating more precise and efficient machine learning applications in organic synthesis. Scientific contribution: The proposed automated preprocessing tool for chemical reaction data aims to identify errors within chemical databases. Specifically, if the errors involve atom mapping or the absence of reactant types, corrections can be systematically applied using reaction templates, ultimately elevating the overall quality of the database.
Biocatalytic nucleobase diversification of 4’-thionucleosides and de novo RNA synthesis using 5-ethynyl-4’-thiouridine
Authors: Westarp Sarah , Benckendorff Caecilie , Motter Jonas , Röhrs Viola , Sanghvi Yogesh , Neubauer Peter , Kurreck Jens , Kurreck Anke , Miller Gavin
Published: March 2024

Nucleoside and nucleotide analogues have proven transformative in the treatment of viral infections and cancer. One branch of structural modification to deliver new nucleoside analogue classes explores replacement of canonical ribose oxygen with a sulfur atom. Whilst biological activity of such analogues has been shown in some cases, widespread exploration of this class of analogue is hitherto hampered by the lack of a straightforward and universal nucleobase diversification strategy. Herein, we present a synergistic platform enabling both biocatalytic nucleobase diversification from 4'-thiouridine in a one-pot process, and chemical functionalization to access new functional entities. This methodology delivers entry across pyrimidine and purine 4'-thionucleosides, paving a way for wider synthetic and biological exploration. We exemplify our approach by enzymatic synthesis of 5-iodo-4'-thiouridine on multi-milligram scale and from here switch to the chemical synthesis of a novel nucleoside analogue probe, 5-ethynyl-4'-thiouridine. Finally, we demonstrate the utility of this probe to monitor RNA synthesis de novo in proliferating HeLa cells, validating its capability as a new metabolic RNA labelling tool.
Approximate Functionals for Multistate Density Functional Theory
Authors: Humeniuk Alexander
Published: March 2024

Recently Lu and Gao [J. Phys. Chem. Lett. 13, 33, 7762-7769 (2022)] published a new, rigorous density functional theory for excited states and proved that the projection of the kinetic and electron repulsion operators into the subspace of the lowest electronic states are a universal functional of the matrix density D(r). This is the first attempt to find an approximation to the multistate universal functional F[D(r)]. It is shown that F (i) does not explicitly depend on the number of electronic states and (ii) is an analytic matrix functional. The Thomas-Fermi-Dirac-von Weizsäcker model and the correlation energy of the homogeneous electron gas are turned into matrix functionals guided by two principles: That each matrix functional should transform properly under basis set transformations, and that the ground state functional should be recovered for a single electronic state. Lieb-Oxford-like bounds on the average kinetic and electron repulsion energies in the subspace are given. When evaluated on the numerically exact matrix density of LiF, this simple approximation reproduces the matrix elements of the Hamiltonian in the basis of the exact eigenstates accurately for all bond lengths. In particular the off-diagonal elements of the effective Hamiltonian that come from the interactions of different electronic states can be calculated with the same or better accuracy than the diagonal elements. Unsurprisingly, the largest error comes from the kinetic energy functional. More exact conditions that constrain the functional form of F are needed to go beyond the local density approximation.
Salivary amino acid concentrations in zebus (Bos indicus) and zebu hybrids (Bos indicus × Bos taurus) fed a tannin-rich diet
Authors: Yisehak Kechero , Becker Anne , Belay Duguma , Bosch Guido , Hendriks Wouter H. , Clauss Marcus , Janssens Geert P.J.
Published: March 2024

Short notes don’t have an abstract.
Facultative nesting in Rhinella spinulosa (Anura: Bufonidae): strategy to avoid dehydration of offspring
Authors: Sanabria Eduardo Alfredo , Quiroga Lorena Beatriz
Published: March 2024

Short notes don’t have an abstract.
Male mating success in the Omei treefrog (Rhacophorus omeimontis): the influence of body size and age
Authors: Liao Wen Bo , Lu Xin
Published: March 2024

In anuran mate choice, advantaged males are generally known to be larger or older individuals. To test whether male mating success in the foam-nesting treefrog Rhacophorus omeimontis, a species distributed in western China, correlated with body size and age, we analysed differences in body size and age among three types of males. Males were classified as mated, joining or unmated at the time of sampling with joining males being additional males joining pairs in amplexus. Our results showed that there were no significant differences in body size among the three types of males. However, age was an important factor, with mated males being significantly older than joining and unmated males, which indicated that older individuals tended to have greater mating success than younger frogs.
Stress behaviour among police officers under human resources management
Authors: Sonia N. , J. Kamala Juliet Isaac
Published: March 2024

Stress damages human beings and their agencies, potentially becoming all-encompassing. It can affect individuals in all occupations and of every age, regardless of gender, nationality, educational background, or position. Stress is an inevitable part of police work. Constant and unmanaged stress may reduce the effectiveness and efficiency of the staff. Police officers pose a threat to themselves, their colleagues, offenders, and public safety. The purpose of this study is to explore the causes of stress and empirically investigate the socio-demographic factors affecting stress levels among police personnel. A convenience sampling method was employed to select a sample of 118 police personnel in the Tamil Nadu police force. Findings revealed that political pressure, lack of time for family, negative public image, and low income were the primary causes of stress among police personnel. It emerged that stress is significantly more pronounced among younger, more educated individuals, those posted in urban areas, and those with less work experience. Overall, the findings of this study strongly suggest a need for internal policy reform and managerial changes in the system.
Recent advances in periodontal regeneration – A review
Authors: Srinivasan K.
Published: March 2024

Periodontal Disease (PD) is one of the most common inflammatory oral diseases, affecting approximately 47% of adults aged 30 years or older in the United States. If not treated properly, PD leads to degradation of periodontal tissues, causing tooth movement, and eventually tooth loss. Conventional clinical therapy for PD aims at eliminating infectious sources and reducing inflammation to arrest disease progression, which cannot achieve the regeneration of lost periodontal tissues. Over the past two decades, various regenerative periodontal therapies, such as Guided Tissue Regeneration (GTR), enamel matrix derivative, bone grafts, growth factor delivery, and the combination of cells and growth factors with matrix-based scaffolds, have been developed to target the restoration of lost tooth-supporting tissues, including the periodontal ligament, alveolar bone, and cementum. This review discusses recent progress in periodontal regeneration using tissue-engineering and regenerative medicine approaches. Specifically, the focus is on the advances in biomaterials and controlled drug delivery for periodontal regeneration in recent years. Special attention is given to the development of advanced bio-inspired scaffolding biomaterials and temporospatial control of multi-drug delivery for the regeneration of the cementum-periodontal ligament-alveolar bone complex. Challenges and future perspectives are presented to provide inspiration for the design and development of innovative biomaterials and delivery systems for new regenerative periodontal therapy.