bluuebunny/crossref_metadata_2025 huggingface dataset:
Sources of variability in seagrass fatty acid profiles and the need of identifying reliable warming descriptors
Authors: Pansini Arianna , Beca-Carretero Pedro , González Maria J. , La Manna Gabriella , Medina Isabel , Ceccherelli Giulia
Published: June 2023

Global warming is expected to have inexorable and profound effects on marine ecosystems, particularly in foundation species such as seagrasses. Identifying responses to warming and comparing populations across natural temperature gradients can inform how future warming will impact the structure and function of ecosystems. Here, we investigated how thermal environment, intra-shoot and spatial variability modulate biochemical responses of the Mediterranean seagrass Posidonia oceanica. Through a space-for-time substitution study, Fatty acid (FA) profiles on the second and fifth leaf of the shoots were quantified at eight sites in Sardinia along a natural sea surface temperature (SST) summer gradient (about 4 °C). Higher mean SST were related to a decrease in the leaf total fatty acid content (LTFA), a reduction in polyunsaturated fatty acids (PUFA), omega-3/omega-6 PUFA and PUFA/saturated fatty acids (SFA) ratios and an increase in SFA, monounsaturated fatty acids and carbon elongation index (CEI, C18:2 n-6/C16:2 n-6) ratio. Results also revealed that FA profiles were strongly influenced by leaf age, independently of SST and spatial variability within sites. Overall, this study evidenced that the sensitive response of P. oceanica FA profiles to intra-shoot and spatial variability must not be overlooked when considering their response to temperature changes.
Analysis of MT-ATP8 gene variants reported in patients by modeling in silico and in yeast model organism
Authors: Panja Chiranjit , Niedzwiecka Katarzyna , Baranowska Emilia , Poznanski Jaroslaw , Kucharczyk Roza
Published: June 2023

Defects in ATP synthase functioning due to the substitutions in its two mitochondrially encoded subunits a and 8 lead to untreatable mitochondrial diseases. Defining the character of variants in genes encoding these subunits is challenging due to their low frequency, heteroplasmy of mitochondrial DNA in patients’ cells and polymorphisms of mitochondrial genome. We successfully used yeast S. cerevisiae as a model to study the effects of variants in MT-ATP6 gene and our research led to understand how eight amino acid residues substitutions impact the proton translocation through the channel formed by subunit a and c-ring of ATP synthase at the molecular level. Here we applied this approach to study the effects of the m.8403T>C variant in MT-ATP8 gene. The biochemical data from yeast mitochondria indicate that equivalent mutation is not detrimental for the yeast enzyme functioning. The structural analysis of substitutions in subunit 8 introduced by m.8403T>C and five other variants in MT-ATP8 provides indications about the role of subunit 8 in the membrane domain of ATP synthase and potential structural consequences of substitutions in this subunit.
Preverbal infants produce more protophones with artificial objects compared to natural objects
Authors: Gibson Violet , Somogyi Eszter , Nomikou Iris , Taylor Derry , López Beatriz , Mulenga Innocent Chitalu , Davila-Ross Marina
Published: June 2023

Protophones are considered to be precursors of speech. These vocalizations have been notably discussed in relation to toys and their importance for developing language skills. However, little is known about how natural objects, compared to artificial objects, may affect protophone production, an approach that could additionally help reconstruct how language evolved. In the current study, we examined protophone production in 58 infants (4–18 months) while interacting with their caregivers when using natural objects, household items, and toys. The infants were recorded in their home environment, in a rural area in Zambia. The results showed that the infants produced significantly fewer protophones when using natural objects than when using household items or toys. Importantly, this pattern was found only for the younger preverbal infants, and there was no indication in the data that the level of caregiver responsiveness differed with regard to the object type. Furthermore, the infants of the present work selected primarily the household items when exposed to both natural objects and household items. These findings suggest that natural objects are less likely to promote protophone production and, consequently, language skill development than artificial objects in preverbal infants, who seem to favor the latter, perhaps due to their features designed for specific functional purposes. Furthermore, these findings provide empirical evidence that the use of complex tools in social interactions may have helped to promote the evolution of language among hominins.
Design, synthesis, in vitro anti-α-glucosidase evaluations, and computational studies of new phthalimide-phenoxy-1,2,3-triazole-N-phenyl (or benzyl) acetamides as potential anti-diabetic agents
Authors: Emadi Mehdi , Halimi Mohammad , Moazzam Ali , Hosseini Samanesadat , Mojtabavi Somayeh , Faramarzi Mohammad Ali , Ghadimi Reza , Moghadamnia Ali Akbar , Nasli-Esfahani Ensieh , Mohammadi-Khanaposhtani Maryam , Mahdavi Mohammad
Published: June 2023

An important target in the treatment of type 2 diabetes is α-glucosidase. Inhibition of this enzyme led to delay in glucose absorption and decrease in postprandial hyperglycemia. A new series of phthalimide-phenoxy-1,2,3-triazole-N-phenyl (or benzyl) acetamides 11a–n were designed based on the reported potent α-glucosidase inhibitors. These compounds were synthesized and screened for their in vitro inhibitory activity against the latter enzyme. The majority of the evaluated compounds displayed high inhibition effects (IC50 values in the range of 45.26 ± 0.03–491.68 ± 0.11 µM) as compared to the positive control acarbose (IC50 value = 750.1 ± 0.23 µM). Among this series, compounds 11j and 11i represented the most potent α-glucosidase inhibitory activities with IC50 values of 45.26 ± 0.03 and 46.25 ± 0.89 µM. Kinetic analysis revealed that the compound 11j is a competitive inhibitor with a Ki of 50.4 µM. Furthermore, the binding interactions of the most potent compounds in α-glucosidase active site were studied through molecular docking and molecular dynamics. The latter studies confirmed the obtained results through in vitro experiments. Furthermore, in silico pharmacokinetic study of the most potent compounds was also performed.
Deep learning for deterioration prediction of COVID-19 patients based on time-series of three vital signs
Authors: Mehrdad Sarmad , Shamout Farah E. , Wang Yao , Atashzar S. Farokh
Published: June 2023

Unrecognized deterioration of COVID-19 patients can lead to high morbidity and mortality. Most existing deterioration prediction models require a large number of clinical information, typically collected in hospital settings, such as medical images or comprehensive laboratory tests. This is infeasible for telehealth solutions and highlights a gap in deterioration prediction models based on minimal data, which can be recorded at a large scale in any clinic, nursing home, or even at the patient’s home. In this study, we develop and compare two prognostic models that predict if a patient will experience deterioration in the forthcoming 3 to 24 h. The models sequentially process routine triadic vital signs: (a) oxygen saturation, (b) heart rate, and (c) temperature. These models are also provided with basic patient information, including sex, age, vaccination status, vaccination date, and status of obesity, hypertension, or diabetes. The difference between the two models is the way that the temporal dynamics of the vital signs are processed. Model #1 utilizes a temporally-dilated version of the Long-Short Term Memory model (LSTM) for temporal processes, and Model #2 utilizes a residual temporal convolutional network (TCN) for this purpose. We train and evaluate the models using data collected from 37,006 COVID-19 patients at NYU Langone Health in New York, USA. The convolution-based model outperforms the LSTM based model, achieving a high AUROC of 0.8844–0.9336 for 3 to 24 h deterioration prediction on a held-out test set. We also conduct occlusion experiments to evaluate the importance of each input feature, which reveals the significance of continuously monitoring the variation of the vital signs. Our results show the prospect for accurate deterioration forecast using a minimum feature set that can be relatively easily obtained using wearable devices and self-reported patient information.
Identification, molecular characterization and phylogenetic analysis of a novel nucleorhabdovirus infecting Paris polyphylla var. yunnanensis
Authors: Hu Jingyu , Miao Tianli , Que Kaijuan , Rahman Md. Siddiqur , Zhang Lei , Dong Xian , Ji Pengzhang , Dong Jiahong
Published: June 2023

A novel betanucleorhabdovirus infecting Paris polyphylla var. yunnanensis, tentatively named Paris yunnanensis rhabdovirus 1 (PyRV1), was recently identified in Yunnan Province, China. The infected plants showed vein clearing and leaf crinkle at early stage of infection, followed by leaf yellowing and necrosis. Enveloped bacilliform particles were observed using electron microscopy. The virus was mechanically transmissible to Nicotiana bethamiana and N. glutinosa. The complete genome of PyRV1 consists of 13,509 nucleotides, the organization of which was typical of rhabdoviruses, containing six open reading frames encoding proteins N–P–P3–M–G–L on the anti-sense strand, separated by conserved intergenic regions and flanked by complementary 3′-leader and 5′-trailer sequences. The genome of PyRV1 shared highest nucleotide sequence identity (55.1%) with Sonchus yellow net virus (SYNV), and the N, P, P3, M, G, and L proteins showed 56.9%, 37.2%, 38.4%, 41.8%, 56.7%, and 49.4% amino acid sequence identities with respective proteins of SYNV, suggesting RyRV1 belongs to a new species of the genus Betanucleorhabdovirus.
Effect of laser shock peening on microstructure and mechanical properties of laser cladding 30CrMnSiNi2A high-strength steel
Authors: Wang Lingfeng , Yu Kun , Cheng Xing , Cao Tong , Zhou Liucheng
Published: June 2023

The effect of laser shock peening (LSP) on the microhardness and tensile properties of laser cladding (LC) 30CrMnSiNi2A high-strength steel was studied. After LSP, the microhardness of the cladding zone reached approximately 800 HV0.2, which was 25% higher than that of the substrate, while the cladding zone without LSP had an approximately 18% increase in its microhardness. Two strengthening processes were designed: groove LSP + LC + surface LSP versus LC + surface LSP. The former's tensile strength and yield strength were less than 10% weaker than those of forged materials, which is the best mechanical property recovery found in LC samples. The microstructural characteristics of the LC samples were analysed by scanning electron microscopy (SEM) and electron backscatter diffraction. Under the action of the laser-induced shock wave, the grain size of the LC sample surface was refined, the low-angle grain boundaries on the surface layer increased significantly, and the austenite grain length was reduced from 30–40 μm in the deep layer to 4–8 μm in the surface layer. In addition, LSP modulated the residual stress field, hence preventing the weakening effect of the LC process's thermal stress on the components' mechanical properties.
A validated prognostic nomogram for patients with H3 K27M-mutant diffuse midline glioma
Authors: Peng Youheng , Ren Yanming , Huang Bowen , Tang Jun , Jv Yan , Mao Qing , Liu Yanhui , Lei Yinjie , Zhang Yuekang
Published: June 2023

H3 K27M-mutant diffuse midline glioma (H3 K27M-mt DMG) is a rare, highly invasive tumor with a poor prognosis. The prognostic factors of H3 K27M-mt DMG have not been fully identified, and there is no clinical prediction model for it. This study aimed to develop and validate a prognostic model for predicting the probability of survival in patients with H3 K27M-mt DMG. Patients diagnosed with H3 K27M-mt DMG in the West China Hospital from January 2016 to August 2021 were included. Cox proportional hazard regression was used for survival assessment, with adjustment for known prognostic factors. The final model was established using the patient data of our center as the training cohort and data from other centers for external independent verification. One hundred and five patients were ultimately included in the training cohort, and 43 cases from another institution were used as the validation cohort. The factors influencing survival probability in the prediction model included age, preoperative KPS score, radiotherapy and Ki-67 expression level. The adjusted consistency indices of the Cox regression model in internal bootstrap validation at 6, 12, and 18 months were 0.776, 0.766, and 0.764, respectively. The calibration chart showed high consistency between the predicted and observed results. The discrimination in external verification was 0.785, and the calibration curve showed good calibration ability. We identified the risk factors that affect the prognosis of H3 K27M-mt DMG patients and then established and validated a diagnostic model for predicting the survival probability of these patients.
Controlling grain structure in metallic additive manufacturing using a versatile, inexpensive process control system
Authors: Chechik Lova , Goodall Alexander D. , Christofidou Katerina A. , Todd Iain
Published: June 2023

Additive manufacturing (AM), commonly termed 3D printing, is a revolutionary manufacturing technology with great industrial relevance in the aerospace, medical and automotive sectors. Metallic AM allows creation of complex intricate parts and repair of large components; however, certification is currently a concern due to lack of process consistency. A versatile, inexpensive process control system was developed and integrated, reducing variability in melt pool fluctuation and improving microstructural homogeneity of components. Remnant microstructural variation can be explained by the change in heat flow mechanism with geometry. The grain area variability was reduced by up to 94% at a fraction of the cost of a typical thermal camera, with control software written in-house and made publically available. This decreases the barrier to implementation for process feedback control, which can be implemented in many manufacturing processes, from polymer AM to injection moulding to inert-gas heat treatment.
The characterization of collagen-based scaffolds modified with phenolic acids for tissue engineering application
Authors: Kaczmarek-Szczepańska Beata , Polkowska Izabela , Małek Marcin , Kluczyński Janusz , Paździor-Czapula Katarzyna , Wekwejt Marcin , Michno Anna , Ronowska Anna , Pałubicka Anna , Nowicka Beata , Otrocka-Domagała Iwona
Published: June 2023

The aim of the experiment was to study the morphology of collagen-based scaffolds modified by caffeic acid, ferulic acid, and gallic acid, their swelling, and degradation rate, as well as the biological properties of scaffolds, such as antioxidant activity, hemo- and cytocompatibility, histological observation, and antibacterial properties. Scaffolds based on collagen with phenolic acid showed higher swelling rate and enzymatic stability compared to scaffolds based on pure collagen, and the radical scavenging activity was in the range 85–91%. All scaffolds were non-hemolytic and compatible with surrounding tissues. Collagen modified by ferulic acid showed potentially negative effects on hFOB cells as a significantly increased LDH release was found, but all of the studied materials had antimicrobial activity against Staphylococcus aureus and Escherichia coli. It may be assumed that phenolic acids, such as caffeic, ferulic, and gallic acid, are modifiers and provide novel biological properties of collagen-based scaffolds. This paper provides the summarization and comparison of the biological properties of scaffolds based on collagen modified with three different phenolic acids.
Partition of Omega-like facility into two configurations of 24 and 36 laser beams to improve implosion performance
Authors: Temporal M. , Piriz A. R. , Canaud B. , Ramis R. , Craxton R. S.
Published: June 2023

An Omega-like beam configuration is considered where the 60-beam layout can be separated into two independent sub-configurations with 24 and 36 laser beams, each minimizing direct drive illumination non-uniformity. Two different laser focal spot profiles, one associated with each configuration, are proposed to apply the zooming technique in order to increase the laser-target coupling efficiency. This approach is used by 1D hydrodynamics simulations of the implosion of a direct-drive capsule characterized by a relatively large aspect ratio A = 7 and an optimized laser pulse shape delivering a maximum of 30 TW and 30 kJ, with different temporal pulse shapes in each of the two sets of beams. It is shown that zooming allows for an optimistic 1D thermonuclear energy gain greater than one while without zooming the thermonuclear gain remains largely below one. While this is incompatible with the as-built Omega laser, it provides a promising option for a future intermediate-energy direct drive laser system.
Additive fabrication and experimental validation of a lightweight thermoelectric generator
Authors: Fanciulli Carlo , Abedi Hossein , Nespoli Adelaide , Dondè Roberto , La Terra Caterina , Migliorini Francesca , Passaretti Francesca , De Iuliis Silvana
Published: June 2023

We develop a thermoelectric generator based on catalytic combustion and operating in the low power range (up to 10 W). Considering the target of small-scale thermoelectric generators, the additive technique was chosen as an enabling technology to customize the different parts of the presented device. The generator consists of a hexagonal shaped combustion chamber coupled to commercial thermoelectric modules, water-cooled at the cold side. Thanks to the components design, heat transfer across each part of the system is properly driven enhancing the thermal management of the system. Moreover, in order to improve the overall efficiency, exhausts outlet is designed to promote heat recovery. The generator is characterized achieving an electrical power output close to 9 W in continuous regime, with an overall efficiency of 3.55%. The compact size, the light weight, the simple design and the reliability in continuous operating conditions are all promising features of the device described. Furthermore, the materials chosen for the device can suggest a way to fabricate cheaper heat exchangers, actually one of the main costs of the device development.
Poly (A)-specific ribonuclease deficiency impacts oogenesis in zebrafish
Authors: Nanjappa Dechamma Pandyanda , De Saffel Hanna , Kalladka Krithika , Arjuna Srividya , Babu Nishith , Prasad Kishan , Sips Patrick , Chakraborty Anirban
Published: June 2023

Poly (A)-specific ribonuclease (PARN) is the most important 3′–5′exonuclease involved in the process of deadenylation, the removal of poly (A) tails of mRNAs. Although PARN is primarily known for its role in mRNA stability, recent studies suggest several other functions of PARN including a role in telomere biology, non-coding RNA maturation, trimming of miRNAs, ribosome biogenesis and TP53 function. Moreover, PARN expression is de-regulated in many cancers, including solid tumours and hematopoietic malignancies. To better understand the in vivo role of PARN, we used a zebrafish model to study the physiological consequences of Parn loss-of-function. Exon 19 of the gene, which partially codes for the RNA binding domain of the protein, was targeted for CRISPR-Cas9-directed genome editing. Contrary to the expectations, no developmental defects were observed in the zebrafish with a parn nonsense mutation. Intriguingly, the parn null mutants were viable and fertile, but turned out to only develop into males. Histological analysis of the gonads in the mutants and their wild type siblings revealed a defective maturation of gonadal cells in the parn null mutants. The results of this study highlight yet another emerging function of Parn, i.e., its role in oogenesis.
The lipidomic profile of the nanoparticle-biomolecule corona reflects the diversity of plasma lipids
Authors: Papafilippou Lana , Nicolaou Anna , Kendall Alexandra C. , Camacho-Muñoz Dolores , Hadjidemetriou Marilena
Published: June 2023

Our work highlights the importance of multi-omics to comprehend the multi-molecular composition of the nanoparticle biomolecule corona and paves the way for the corona-enabled enrichment of blood-circulating disease-specific lipids.
Total synthesis of atropisomeric indolosesquiterpenoids via N–N bond formation: dixiamycins A and B
Authors: Nandi Rhituparna , Niyogi Sovan , Kundu Sourav , Gavit Vipin R. , Munda Mintu , Murmu Ranjit , Bisai Alakesh
Published: June 2023

The total synthesis of the naturally occurring N–N atropo-diastereomers dixiamycin A (1a) and dixiamycin B (1b) using a key Cu(i)-catalyzed aerobic oxidation of xiamycin A methyl ester (2b) was developed.
Handheld FTIR outperforms total organic carbon swab in pharmaceutical cleaning validation
Authors: Jul-Jørgensen Isabella , Gernaey Krist V. , Hundahl Christian A.
Published: June 2023

A comparability study between total organic carbon (TOC) swab and a handheld Fourier-Transform infrared (FTIR) spectrometer coupled with partial least squares discriminant analysis (PLS-DA) for use in pharmaceutical cleaning validation.
Simultaneous quantification of exosomal MMP14 expression and proteolysis activity on a spherical dual-probe-based fluorescent nanosensor
Authors: Yin Shuo , Chen Aipeng , Fang Xiaoni , Zhang Peng , Yang Chaoyong
Published: June 2023

A spherical dual-probe sensor was developed for the simultaneous and sensitive detection of exosomal MMP14 expression and proteolytic activity. It has been successfully used in human serum, showing its good applicability in cancer diagnosis.
Recombinant supercharged polypeptides for safe and efficient heparin neutralization
Authors: Tu Jianfei , Liu Qing , You Shengye , Meng Zhuojun , Fang Shiji , Yu Binhong , Chen Xumin , Zhou Yu , Zeng Lulu , Herrmann Andreas , Chen Gang , Shen Jianliang , Zheng Lifei , Ji Jiansong
Published: June 2023

Recombinant supercharged unfolded polypeptides display excellent heparin-neutralizing performance and biocompatibilityin vitroandin vivo, showing good potential to replace protamine sulfate, the only clinically licensed antidote for heparin.
An injectable nanocomposite alginate-Ca2+ hydrogel for melittin-assisted Ca2+-overload and photothermal cancer therapy
Authors: Yang Wen Jing , Ma Ruixiang , Wei Shibing , Sun Wenping , Xu Wenya , Wang Lianhui
Published: June 2023

An injectable nanocomposite alginate-Ca2+ hydrogel, containing melittin and polyaniline nanofibers, was fabricated for melittin-enhanced Ca2+-overload-mediated and photothermal cancer therapy.
Atomistic insight into the binding mode and self-regulation mechanism of IsPETase towards PET substrates with different polymerization degrees
Authors: Chen Linyu , Fan Fangfang , Yang Meiyuan , Wang Linquan , Bai Yushuo , Qiu Shuai , Lyu Changjiang , Huang Jun
Published: June 2023

The presence of a middle binding region in PETase provides a potential possibility for the binding of PET with different chain lengths, and exerts the self-regulation ability of enzymes to accommodate substrates.
Coumarin-modified ruthenium complexes by disrupting bacterial membrane to combat Gram-positive bacterial infection
Authors: Huang Hai-Yan , Wang Pei , Deng Wei , Dou Li-Xin , Liao Xiang-Wen , Wang Jin-Tao , Duan Xue-Min , Yu Ru-Jian , Xiong Yan-Shi
Published: June 2023

Coumarin-modified ruthenium complexes could efficiently disrupt bacterial membrane and cause the death of bacteria.
Novel valproate half-sandwich rhodium and iridium conjugates to fight against multidrug-resistant Gram-positive bacteria
Authors: Marco Alicia , Vigueras Gloria , Busto Natalia , Cutillas Natalia , Bautista Delia , Ruiz José
Published: June 2023

The valproic acid conjugation to Ir(iii) and Rh(iii) half-sandwich complexes seems to switch on their antibacterial activity towards Enterococcus faecium and Staphylococcus aureus Gram-positive bacteria.
Highly luminescent antiaromatic diborinines with fused thiophene rings
Authors: Adachi Yohei , Hasegawa Takumi , Ohshita Joji
Published: June 2023

Highly luminescent dithienodiborinines, exhibiting moderate antiaromaticity, were synthesized. The antiaromaticity and excellent fluorescence properties enabled their application as a fluorescent sensor for detecting ammonia vapor.
Structural design and preparation of Ti3C2TxMXene/polymer composites for absorption-dominated electromagnetic interference shielding
Authors: Zhang Qimei , Wang Qi , Cui Jian , Zhao Shuai , Zhang Guangfa , Gao Ailin , Yan Yehai
Published: June 2023

Summary of advances in structural design and fabrication of homogeneous, multilayer, porous, hybrid, and magnetic Ti3C2Tx/polymer composites, regulating the electromagnetic parameters for green absorption electromagnetic interference shielding.
The luminescence mechanism of ligand-induced interface states in silicon quantum dots
Authors: Zhou Jian , Ma Fengyang , Chen Kai , Zhao Wuyan , Yang Riyi , Qiao Chong , Shen Hong , Su Wan-Sheng , Lu Ming , Zheng Yuxiang , Zhang Rongjun , Chen Liangyao , Wang Songyou
Published: June 2023

The luminescence of silicon quantum dots can be enhanced by the quantum size effect or by the effect of surface ligands.
Seed free synthesis of polyethylene glycol stabilized gold nanoprisms exploiting manganese metal at low pH
Authors: Bharti Kanika , Sk Md Azimuddin , Sadhu Kalyan K.
Published: June 2023

At low pH, “unactivated” Mn metal has reduced Au3+to PEG stabilized gold nanoprism. Growth of nanoprism shows either edge or surface modification in presence of nucleic acid or amino acids with electrically charged side chains respectively.
Indole frameworks via transition-metal-free annulation: a current perspective
Authors: Das Suven
Published: June 2023

The present review summarizes recent (2019–mid-2023) efforts towards the construction of the indole core via transition-metal-free methods.
Novel bismuth oxosalts, β-Bi3O3(VO4) and KBi5O5(PO4)2: synthesis and effect of hydrothermal pressure on the crystal structure
Authors: Shvanskaya Larisa , Krikunova Polina , Nikolaeva Irina , Lyssenko Konstantin , Pokryshkin Nikolay , Timoshenko Victor
Published: June 2023

Novel β-Bi3O3(VO4) (I) and KBi5O5(PO4)2(II) were synthesized hydrothermally. The influence of water pressure is essential for the stabilization of Bi3O3(VO4) polymorphs. (I)/(II) emit in the red-near-infrared/green orange range.
High-molecular weight bottlebrushes via continuous flow photoiniferter polymerization of macromonomers
Authors: Sivokhin Alexey , Orekhov Dmitry , Kazantsev Oleg , Otopkova Ksenia , Sivokhina Olga , Chesnokov Yuri , Smirnov Michael , Ovchinnikov Alexey , Makhov Ilya
Published: June 2023

High-molecular weight amphiphilic PEG-based bottlebrushes have been synthesized via continuous flow photoiniferter polymerization of macromonomers using trithiocarbonates as chain transfer agents.
An electrochemical Hofmann rearrangement on acrylamide copolymers
Authors: Wang Muzhao , Wilson Paul
Published: June 2023

Constant current electrolysis of acrylamide copolymers promotes a mild and efficient electrochemical Hofmann rearrangement transforming the primary amide side-chains into O-methyl carbamate side-chains in methanol.
“Click” for precise photodynamic therapy
Authors: Tam Leo K. B. , Ng Dennis K. P.
Published: June 2023

Bioorthogonal click reactions facilitate the bioconjugation, targeting and activation of photosensitisers for precise photodynamic therapy.
Construction and hydrophilic modification of dual-network structured nonwoven/UHMWPE composite membranes for water processing
Authors: Zhu Yunan , Liu Rong , Xu Xiaoxiao , Fu Yijun , Dai Jiamu , Zhang Wei , Zhang Guangyu , Zhang Junxiong , Ma Xiaomin , Chen Pin
Published: June 2023

Water pollution caused by the continuous development of industrialization has always been a common concern of mankind.
Investigation of the structure, phase transitions, molecular dynamics, and ferroelasticity of organic–inorganic hybrid NH(CH3)3CdCl3crystals
Authors: Lim Ae Ran
Published: June 2023

DSC curves and powder XRD patterns of NH(CH3)3CdCl3.
Anti-Alzheimer activity of new coumarin-based derivatives targeting acetylcholinesterase inhibition
Authors: Kamel Nahla N. , Aly Hanan F. , Fouad Ghadha I. , Abd El-Karim Somaia S. , Anwar Manal M. , Syam Yasmin M. , Elseginy Samia A. , Ahmed Kawkab A. , Booles Hoda F. , Shalaby Mohamed B. , Khalil Wagdy K. B. , Sandhir Rajat , Deshwal Sonam , Rizk Maha Z.
Published: June 2023

New 2-oxo-chromene-7-oxymethylene acetohydrazide derivatives 4a–d were designed and synthesized with a variety of bioactive chemical fragments.
Fabrication and characterization of mesoporous yolk–shell nanocomposites as an effective reusable heterogeneous base catalyst for the synthesis of ortho-aminocarbonitrile tetrahydronaphthalenes
Authors: Khorasani Mahsa , Naeimi Hossein
Published: June 2023

Mesoporous yolk–shell nanocomposites were loaded with a mobile CaMg core inside the silica shell. Also, these prepared inside the inner cavity of a novel structure that consists of hollow mesoporous silica spheres.
Hydrazinosulfonylation of aryl electrophiles: a straightforward approach for the synthesis of aryl N-aminosulfonamides
Authors: Hsu Chou-Yi , Obaid Aldulaimi Ahmed Kareem , humam sami Mustafa , Bahir Hala , Adhab Ayat Hussein , Saraswat Shelesh Krishna
Published: June 2023

In recent years, the direct hydrazinosulfonylation of aryl electrophiles with SO2 and hydrazines has emerged as an efficient and versatile method for the synthesis of aryl N-aminosulfonamides.
Epsilon-poly-l-lysine conjugated erythromycin for enhanced antibiotic therapy
Authors: Yu Jie , Cen Danwei , Chen Yongcheng , Zhao Hailan , Xu Mengyue , Wu Sulan , Wang Shuo , Jin Qiao , Shen Ting
Published: June 2023

Erythromycin was conjugated to ε-poly-l-lysine (EPL) for enhanced antibiotic therapy while not bringing hemolysis and cytotoxicity.
Ultra-fast and sustainable formal [3 + 3] cycloadditions enabled by mixed variable optimization on an automated micromole scale flow platform
Authors: Konan Kouakou E. , Senthil Vel Aravind , Abollé Abollé , Cortés-Borda Daniel , Felpin François-Xavier
Published: June 2023

A simple and comprehensive mixed variable optimization strategy enabled the development of ultra-fast formal [3 + 3]-cycloadditions of 1,3-dicarbonyl equivalents with enals in flow.
Real-time cell metabolism assessed repeatedly on the same cells via para-hydrogen induced polarization
Authors: Ding Yonghong , Stevanato Gabriele , von Bonin Frederike , Kube Dieter , Glöggler Stefan
Published: June 2023

We propose a fast protocol that enables two parahydrogen induced polarization measurements on the same cell sample and yield kinetic rates of metabolic conversion under inhibition and stimulation conditions.
The proximity-enabled sulfur fluoride exchange reaction in the protein context
Authors: Yu Bingchen , Cao Li , Li Shanshan , Klauser Paul C. , Wang Lei
Published: June 2023

Proximity-enabled SuFEx reaction between interacting proteins was found to follow a two-step mechanism. Kinetics and essential properties were thoroughly studied for SuFEx applications in protein cross-linking and covalent biotherapeutics.
Rapid identification of molecular subtyping of breast cancer cell lines using a multi-channel sensor array
Authors: Jin Yuyao , Sun Yuanjie , Du Nan , Dou Wei-Tao , Tan Ying , He Xiao-Peng , Xu Naihan , Tan Chunyan
Published: June 2023

A multi-channel sensor array composed of three fluorescent units is constructed to differentiate and identify molecular subtypes of breast cancer.
Influence of structural modifications on the alkali ion storage properties of carbon black in hybrid ion capacitor negative electrodes
Authors: Schenk Johannes , Leistenschneider Desirée , Hoeppener Stephanie , Schubert Ulrich S. , Schutjajew Konstantin , Oschatz Martin
Published: June 2023

Structurally altered carbon blacks were investigated in hybrid ion capacitors. A diffusion limited storage in more graphitic structures is observed for Na. Li shows no diffusional hindrance and higher rate capability with graphite-like carbons.
Estimation of anisotropic bending rigidities and spontaneous curvatures of crescent curvature-inducing proteins from tethered-vesicle experimental data
Authors: Noguchi Hiroshi , Walani Nikhil , Arroyo Marino
Published: June 2023

We estimated the anisotropic bending rigidities and spontaneous curvatures of I-BAR and N-BAR domains by fitting experimental data, using a mean-field theory of anisotropic bending energy and orientation-dependent excluded volume.
Hollow silica nanoparticles loaded with industrial dyes for high exhaustion leather dyeing and its sustainability impact
Authors: Ramalingam Sathya , Rao Jonnalagadda Raghava , Sreeram Kalarical Janardhanan
Published: June 2023

The impact of hollow spheres contains modified industrial dyes for leather dyeing application.
Rational design of poly(peptide-ester) block copolymers for enzyme-specific surface resorption
Authors: Fung Stephanie L. , Cohen Jarrod P. , Pashuck E. Thomas , Miles Catherine E. , Freeman Joseph W. , Kohn Joachim
Published: June 2023

We report the development of a peptide-polyester block copolymer where protease-mediated resorption is tuned through the chemistry of the polymer backbone and protease specificity is imparted through incorporation of specific peptide sequences.
Advances and perspectives of nanozymes in respiratory diseases
Authors: He Shao-Bin , Shi Li-Yong , Zheng Qiong-Hua , Zhang Yin , Chen Wei , Zeng Yi-Ming
Published: June 2023

This is a systematic review of advances and perspectives of nanozymes in respiratory diseases, which will inspire communities of researchers and build a bridge between nanozymes and respiratory medicine.
Modulating the electron-donating ability of aggregation-induced emission molecules for improved photo-responsive properties
Authors: Su Ri-Na , Pan Qing-Qing , Ding Guan-Yu , Sun Jing , Wen Li-Li , Shao Kui-Zhan , Wang Si-Bo , Shan Guo-Gang , Su Zhong-Min
Published: June 2023

Multifunctional photoresponsive materials with aggregation-induced emission properties were constructed and modulated by electron-donating ability variation and favorable packing mode.
MoBiDICT: New 3D static models of close synchronised binaries in hydrostatic equilibrium
Authors: Fellay L. , Dupret M.-A.
Published: June 2023

Context. In close binary systems, tidal interactions and rotational effects can strongly influence stellar evolution as a result of mass transfer and common envelope phases. These aspects can only be treated following improvements of theoretical models to take into account the breaking of spherical symmetry occurring in close binaries. Current models of binary stars rely on either the so-called Roche model or the perturbative approach, both of which result in several assumptions concerning the gravitational, tidal, and centrifugal potentials.

Aims. Our aim is to develop a precise 3D model of stellar deformations and to study the robustness of the Roche and perturbative models in different deformation regimes.

Methods. We developed a new non-perturbative method to compute the precise structural deformation of a binary system in three dimensions that is valid even in the most distorted cases. We then compared our new method to the Roche and perturbative models for different orbital separations and binary components.

Results. We found that in the most distorted cases, both the Roche and perturbative models significantly underestimate the deformation of binaries. The effective gravity and the overall structural deformations are also noticeably different in the most distorted cases, leading to modifications of the usual gravity darkening generally obtained through the Roche model when interpreting the observations. Moreover, we found that the dipolar term of the gravitational potential, usually neglected by the perturbative theory, has the same order of magnitude as the leading tidal term in the most distorted cases.

Conclusions. We developed a new method that is capable of precisely computing the deformations of a binary system composed of any type of stars, even compact objects. For all the stars we studied, the differences in deformation with respect to the Roche or perturbative models are significant in the most distorted cases, which impacts both the interpretation of observations and the theoretical structural depiction of these distorted bodies. In the weaker deformation regimes, the Roche model is a viable option for studying the surface properties of binaries, while the perturbative model is strongly favoured when evaluating structural deformations.
Catalytic hydrogen production in ammonia borane by lanthanum-added nonprecious metal high-entropy alloys
Authors: Ni Bingying , Wang Hongli , Chi Yue , Wang Minggang , Zhao Zhankui
Published: June 2023

As excellent materials, high-entropy alloys have excellent mechanical properties, wear resistance, oxidation resistance, corrosion resistance, physical properties, and radiation resistance. This work presents the design and preparation of a novel high-entropy alloy based on the BCC structure, added with lanthanum, and shows excellent catalytic performance in the hydrolysis of ammonia borane. The high-entropy alloy catalyst being able to catalyse the complete release of hydrogen in 1.3 min at 323 K, and the value of turnover frequency (TOF) value as high as 93.96 min−1. The value of the apparent activation energy (Ea) can reach 26.98 kJ/mol. It retains good catalytic performance after 10 cycles of catalytic hydrogen production from equivalent amounts of boron ammonia at 303 K. In this work, a new strategy is presented to improve the performance of transition group high-entropy alloys and the potential energy and environmental benefits of these alloys are demonstrated.
Thrombembolie-Risikofaktoren und Prophylaxe
Authors: Paffenholz Pia
Published: June 2023

Venöse Thromboembolien stellen eine wichtige Komplikation bei Tumorpatienten, da sie bei diesen Patienten gehäuft auftreten und eine relevante Morbidität bedingen. Das Risiko für thromboembolische Komplikationen bei Tumorpatienten liegt 3–9-mal höher als bei Nichttumorpatienten und stellt die zweithäufigste Todesursache bei Tumorpatienten dar. Das Thromboserisiko hängt neben der tumorinduzierten Koagulopathie von individuellen Faktoren, der Art und dem Stadium der Krebserkrankung, der Zeit seit der Krebsdiagnose sowie der Art einer systemischen Krebstherapie ab. Eine Thromboseprophylaxe bei Tumorpatienten ist wirksam, kann jedoch mit erhöhten Blutungen einhergehen. Auch wenn dezidierte Empfehlungen für einzelne Tumorentitäten aktuell nicht vorliegen, empfehlen internationale Leitlinien prophylaktische Maßnahmen bei Hochrisikopatienten. So kann ein Thromboserisiko von >8–10% als Indikation für eine Thromboseprophylaxe angesehen werden. Dieses Risiko wurde bei Patienten mit einem Khorana-Score von ≥2 erreicht und sollte individuell mithilfe der Nomogramme berechnet werden. Vor allem bei Patienten mit geringem Blutungsrisiko wird diese Empfehlung ausgesprochen. Während des Arztgesprächs sollten zudem Risikofaktoren und Symptome eines thromboembolischen Events thematisiert und Materialien zur Patientenaufklärung ausgehändigt werden.
Drug Reprofiling: A Prospective Approach to Battle Chronic Ailments
Authors: Aggarwal Natasha Naval , Sindhoor S.M. , Naveen N. Raghavendra , Gowthami Buduru , Biju Prajitha
Published: June 2023

The concept of drug “reprofiling” has garnered attention in the recent past post the outbreak of coronavirus disease 2019 when traditional drug discovery seemed to fail. Even though repurposing is called pharma-friendly in terms of monetary relief, clinical trials play an integral role in repurposed nontarget /combination moieties. Nevertheless, when a drug exhibits no returns to the market, an exhaustive study on mechanism of action (MOA) can help for reprofiling of drugs for new indications. However, several papers have claimed that scarcity of resources and data access, and staffing issues, tends to pull down reprofiling of drugs. In contrast to this notion, a total of 155 patented articles to date give a strong base for drug repurposing. In the present review, a scientific prospection of reprofiled antifungal and antiviral agents for the past decade was made using the PubMed database wherein a total of 410 and 768 publications have resulted respectively. The authors have attempted to focus their attention to repurposing antifungal drugs for chronic ailments and infectious diseases by understanding their MOA.

For example, antifungal azoles, which work by blocking ergosterol synthesis, can be repurposed as they inhibit histone deacetylase as well significantly decrease the production of cytokines and modulate the inflammatory pathways used by cancer cells.

Hence, we believe that the mentioned Food and Drug Administration-approved drug candidates can be utilized to treat nontarget diseases, notably rare/neglected diseases as well as chronic illnesses and the more recent viral infections that are spreading globally.
Mental Health Disorders in Circumcised Reproductive-age Women, Legal Dimensions and Prevention Strategies: A Narrative Review
Authors: Alidost Farzane , Abbasi Mahmoud , Ghamsari Sepideh Rezaei , Pakzad Mona
Published: June 2023

Objective: Female genital mutilation/cutting (FGM/C) can affect women's lives through various physical, psychological, social and even sexual mechanisms. According to the World Health Organization guidelines for managing the health effects of FGM/C, further research into its psychological effects and preventative measures is required. In this study, a comprehensive review of the mental health consequences of circumcised women of reproductive age has been conducted with a special focus on providing preventive solutions.

Methods: A comprehensive search of the Web of Science, PubMed(MEDLINE), Proquest, Scopus and Google scholar was carried outfrom 2000 to 2022. The second stage of search was conducted in grey literature. To facilitate a systematic approach to search the literature, the PECO framework, was adopted.

Results: The result of this narrative review study showed that, the most common mental health disorder in reproductive age circumcised women were depression, anxiety and post-traumatic stress disorder. Some studies found a significant relationship between parents' education level and circumcised girls, so that parents of the circumcised women had a low level of education. Two studies considered religious beliefs, tradition, cleanness, sexual desire control and virginity as the reasons for FGM/C.

Conclusion: All forms of FGM/C may be harmful to one's health. Women, who have undergone widespread forms of circumcision, are more likely to develop mental disorders. As the psychosocial effects of circumcision can affect the sexual experience of circumcised women, addressing this issue, emphasizing its legal aspects, and providing preventative solutions can improve physical, mental, social, and even sexual health in circumcised women.
Electron beam impact parameters for the creation of excited species in N2 gas
Authors: Swanekamp S. B. , Adamson P. E. , Isner N. D. , Richardson A. S.
Published: June 2023

The number of electron–ion pairs and the distribution of excited species created by the passage of an intense electron beam in a gas are important parameters for many applications. The previously published values for molecular nitrogen rely on a differential ionization cross section that uses a number of fitting parameters and excitation cross sections determined from analytical fitting functions [S. P. Slinker, A. W. Ali, and R. D. Taylor, J. Appl. Phys. 67, 679 (1990)]. Slinker used cross section fits to solve the Boltzmann equation which was then used to compute the important beam-impact parameters. In this work, it is shown that an alternative approach based on the continuous slowing down approximation (CSDA) can be used to compute the energy expended per electron-ion pair and the distribution of excited gas species. This method results in an integral equation that can be solved iteratively and converges rapidly. The binary-encounter Bethe (BEB) differential ionization cross section is used [Y. K. Kim and M. E. Rudd, Phys. Rev. A 50, 3954 (1994); W. Hwang, Y.-K. Kim and M. E. Rudd, J. Chem. Phys. 104, 2956 (1996)]. The BEB model naturally extends to relativistic energies and has no free parameters. This makes the BEB considerably easier to use than previous models based on fitting parameters. The BEB model requires orbital constants obtained from quantum chemistry calculations. To demonstrate the technique, the electron-beam impact parameters are computed for nitrogen gas. The tabulated low-energy excitation cross sections are extended to relativistic energies using Bethe's asymptotic value for the inelastic cross sections [M. Inokuti, Rev. Mod. Phys. 43, 297 (1971)]. It is shown that the results for the energy expended per electron–ion pair as well as the distribution of excited states agree with published experimental values and are similar to previously published theoretical results.
A generalized temporal transfer matrix method and its application to modeling electromagnetic waves in time-varying chiral media
Authors: Yang Dongha , Xu Jingwei , Werner Douglas H.
Published: June 2023

Chiral metamaterials have attracted significant attention in recent years due to their unique properties in both the microwave and optics regimes. However, most existing works rely on engineering the desired properties of spatial interfaces, and the concept of time-varying chirality has only recently begun to be explored. As a consequence, there is currently a lack of suitable tools for evaluating the propagation of electromagnetic (EM) waves in time-varying chiral media. As such, this paper presents the theoretical formulation for temporal reflection and transmission of EM waves in time-varying chiral media using the temporal transfer matrix method (TTMM). The developed TTMM tool will then be utilized to explore several application examples including a structure with an arbitrary temporal profile, optical activity generated from time interfaces, and anti-reflection temporal coatings. In addition, we employ a specialized finite-difference time-domain (FDTD) technique, known as BI-FDTD, in all the scenarios to validate the proposed theory.
Human capital and energy poverty relationship: Empirical evidence from developing economies
Authors: Khan Muhammad , Ghardallou Wafa
Published: June 2023

Access to clean and affordable energy remains United Nations' seventh sustainable development goal (SDG 7), illustrating its importance for the global community. The situation is particularly alarming in developing countries where a lack of access to electricity undermines their social and economic development. Against this backdrop, this study highlights the relevance of human capital in reducing energy poverty in emerging economies. For this purpose, the empirical investigation relies upon a large sample of 108 developing economies over the period 2000–2019. Our results, based on the Pedroni cointegration technique, confirm the presence of long-run relationships among the variables. Furthermore, the outcomes of dynamic ordinary least square estimations confirm the existence of a positive relationship between education and access to electricity in the sample economies. Moreover, we also confirm the influence of financial development and income in energy poverty reduction of the sample economies. These findings have some important policy implications for developing countries.