bluuebunny/crossref_metadata_2025 huggingface dataset:
GASP: a genetic algorithm for state preparation on quantum computers
Authors: Creevey Floyd M. , Hill Charles D. , Hollenberg Lloyd C. L.
Published: July 2023

The efficient preparation of quantum states is an important step in the execution of many quantum algorithms. In the noisy intermediate-scale quantum (NISQ) computing era, this is a significant challenge given quantum resources are scarce and typically only low-depth quantum circuits can be implemented on physical devices. We present a genetic algorithm for state preparation (GASP) which generates relatively low-depth quantum circuits for initialising a quantum computer in a specified quantum state. The method uses a basis set of$$R_x$$Rx,$$R_y$$Ry,$$R_z$$Rz, and CNOT gates and a genetic algorithm to systematically generate circuits to synthesize the target state to the required fidelity. GASP can produce more efficient circuits of a given accuracy with lower depth and gate counts than other methods. This variability of the required accuracy facilitates overall higher accuracy on implementation, as error accumulation in high-depth circuits can be avoided. We directly compare the method to the state initialisation technique based on an exact synthesis technique by implemented in IBM Qiskit simulated with noise and implemented on physical IBM Quantum devices. Results achieved by GASP outperform Qiskit’s exact general circuit synthesis method on a variety of states such as Gaussian states and W-states, and consistently show the method reduces the number of gates required for the quantum circuits to generate these quantum states to the required accuracy.
Anandamide modulates WNT-5A/BCL-2, IP3/NFATc1, and HMGB1/NF-κB trajectories to protect against mercuric chloride-induced acute kidney injury
Authors: Abdallah Dalaal M. , Kamal Mahmoud M. , Aly Nour Eldin S. , El-Abhar Hanan S.
Published: July 2023

Endocannabinoid anandamide (AEA) has a physiological role in regulating renal blood flow, whereas its analogs ameliorated renal ischemia/reperfusion injury. Nonetheless, the role of AEA against mercuric chloride (HgCl2)-induced renal toxicity has not been unraveled. Rats were allocated into control, HgCl2, and HgCl2/AEA treated groups. The administration of AEA quelled the HgCl2-mediated increase in inositol trisphosphate (IP3) and nuclear factor of activated T-cells cytoplasmic 1 (NFATc1). The endocannabinoid also signified its anti-inflammatory potential by turning off the inflammatory cascade evidenced by the suppression of high mobility group box protein-1 (HMGB1), receptor of glycated end products (RAGE), nuclear factor-κB p65 (NF-κB), and unexpectedly PPAR-γ. Additionally, the aptitude of AEA to inhibit malondialdehyde and boost glutathione points to its antioxidant capacity. Moreover, AEA by enhancing the depleted renal WNT-5A and reducing cystatin-C and KIM-1 (two kidney function parameters) partly verified its anti-apoptotic capacity, confirmed by inhibiting caspase-3 and increasing B-cell lymphoma-2 (BCL-2). The beneficial effect of AEA was mirrored by the improved architecture and kidney function evidenced by the reduction in cystatin-C, KIM-1, creatinine, BUN, and caspase1-induced activated IL-18. In conclusion, our results verify the reno-protective potential of AEA against HgCl2-induced kidney injury by its anti-inflammatory, antioxidant, and anti-apoptotic capacities by modulating WNT-5A/BCL-2, IP3/NFATC1, HMGB-1/RAGE/NF-κB, caspase-1/IL-18, and caspase-3/BCL-2 cues.
Antibacterial and biofilm-inhibiting cotton fabrics decorated with copper nanoparticles grown on graphene nanosheets
Authors: Kim Jiwon , Kang Seung Hyun , Choi Yonghyun , Lee Wonjae , Kim Nayeong , Tanaka Masayoshi , Kang Shink Hyuk , Choi Jonghoon
Published: July 2023

Infectious pathogens can be transmitted through textiles. Therefore, additional efforts are needed to develop functional fabrics containing antimicrobial substances to prevent the growth of antibiotic-resistant bacteria and their biofilms. Here, we developed a cotton fabric coated with reduced graphene oxide (rGO) and copper nanoparticles (Cu NPs), which possessed hydrophobic, antimicrobial, and anti-biofilm properties. Once the graphene oxide was dip-coated on a cellulose cotton fabric, Cu NPs were synthesized using a chemical reduction method to fabricate an rGO/Cu fabric, which was analyzed through FE-SEM, EDS, and ICP-MS. The results of our colony-forming unit assays indicated that the rGO/Cu fabric possessed high antibacterial and anti-biofilm properties against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus epidermidis, Corynebacterium xerosis, and Micrococcus luteus. Particularly, the fabric could inhibit the growth of E. coli, C. xerosis, and M. luteus with a 99% efficiency. Furthermore, our findings confirmed that the same concentrations of rGO/Cu had no cytotoxic effects against CCD-986Sk and Human Dermal Fibroblast (HDF), human skin cells, and NIH/3T3, a mouse skin cell. The developed rGO/Cu fabric thus exhibited promising applicability as a cotton material that can maintain hygienic conditions by preventing the propagation of various bacteria and sufficiently suppressing biofilm formation while also being harmless to the human body.
Risk factors for irreversible unilateral loss of renal function in patients with deep endometriosis
Authors: Martínez-Zamora María-Angeles , Mensión Eduard , Martínez-Egea Judith , Peri Lluis , Franco Agustín , Gracia Meritxell , Ros Cristina , Rius Mariona , Carmona Francisco
Published: July 2023

Deep endometriosis (DE) can be more aggressive than other types of endometriosis, and may even lead to irreversible severe complications such as complete unilateral loss of renal function. We aimed to describe the clinical and radiologic characteristics of DE patients diagnosed with irreversible unilateral loss of renal function due to unilateral ureteral stenosis and evaluate risk factors for developing this loss. This retrospective cohort study included 436 patients who underwent laparoscopic DE surgery. We evaluated two groups of patients according to preserved (Non-Renal Loss Group; n = 421) or irreversible unilateral damaged renal function (Renal Loss Group; n = 15). Preoperative epidemiologic variables, clinical characteristics, radiologic findings and surgical treatments of all the patients were collected. The Renal Loss Group had a higher infertility rate and a higher proportion of asymptomatic patients. The following radiological variables showed statistically significant differences between the two groups: mean endometrioma diameter, the presence of intestinal DE and negative sliding sign. Multivariate analysis showed that infertility, being asymptomatic, having intestinal DE or torus uterinus/uterosacral ligament DE and a negative sliding sign significantly increased the risk of loss of renal function. Therefore, among patients with these clinical and/or radiological variables, severe urinary tract obstruction should be specifically ruled out.
LAMP (Loop-mediated isothermal amplification) assay for rapid identification of Varroa mites
Authors: Rako Lea , Agarwal Arati , Eow Lixin , Roberts John M. K. , Rodoni Brendan C. , Blacket Mark J.
Published: July 2023

Varroa mites are serious pests of European honeybees (Apis mellifera). For detection of Varroa mite, a new molecular LAMP-based assay has been developed, which retains the body of the mite intact for morphological identification. Six novel Varroa LAMP primers were designed from existing DNA sequences of the COI locus to target V. destructor and V. jacobsoni, providing the ability to tell them apart from other non-target beehive associated mite and insect species. This LAMP assay is specific in detecting these Varroa species and has been tested on specimens originating from multiple countries. It produces amplification of V. destructor and V. jacobsoni in 16 ± 3.4 min with an anneal derivative of 78 ± 0.5 °C whilst another Varroa species,V. underwoodi, showed late amplification. A gBlock gene fragment, used here as a positive control has a different anneal derivative of 80 °C. Three non-destructive DNA extraction methods (HotShot, QuickExtract and Xtract) were tested and found to be suitable for use in the field. The LAMP assay was sensitive to very low levels of Varroa DNA, down to 0.24 picogram (~ 1 × 10 copies/µL of Varroa gBlock). This is a new molecular tool for rapid and accurate detection and identification of Varroa mites for pest management, in areas where these mites do not occur.
Nomogram to determine predictive risk for active tuberculosis based on the QuantiFERON-TB Gold In-Tube test
Authors: Wang Qiang , Zhu Fengdan , Cai Yanjuan , Zhu Tao , Lu Xiaolan
Published: July 2023

Interferon-γ release assay (IGRA) is a widely used blood test for detecting TB infection. However, a positive result of IGRA cannot differentiate active tuberculosis (ATB) infection from inactive tuberculosis (IATB). In this study, we established a nomogram model for predictive risk of ATB, differentiated from IATB, based on the concentration of interferon-γ (IFN-γ) of QuantiFERON-TB Gold In-Tube Test (QFT-GIT) and clinical characteristics. Participants with a positive QFT-GIT result were recruited and divided into a training and validation cohort according to hospitalisation date. The nomogram model for the differential diagnosis of ATB from IATB was established according to gender, age, pleural effusion (PE), and the concentration of IFN-γ in the Nil, TB antigen, and mitogen tube of QFT-GIT in the training cohort by logistic regression and validated in the validation cohort, and then combined with adenosine deaminase (ADA) to evaluated the performance value in ATB cases with PE. The area under receiver operating characteristic curve (AUC) of the diagnostic nomogram model, which we called the NSMC-ATB model for ATB diagnosis was 0.819 (95% CI 0.797–0.841), with sensitivity 73.16% and specificity 75.95% in training cohort, and AUC was 0.785 (95% CI 0.744–0.827), with sensitivity 67.44% and specificity 75.14% in validation cohort. A combination of the NSMC-ATB model and ADA performed better than the NSMC-ATB model and ADA alone in predicting ATB cases with PE, as AUC was 0.903 (95% CI 0.856–0.950) with sensitivity 78.63% and specificity 87.50%. We established an effective diagnostic nomogram model, called the NSMC-ATB model to differentiate ATB from IATB. Meanwhile, the combination of the NSMC-ATB model and ADA improved the performance value of ATB with PE.
An unexpected high-pressure stability domain for a lower density polymorph of benzophenone
Authors: Rietveld I. B. , Barrio M. , Ceolin R. , Tamarit J. Ll.
Published: July 2023

For over a century, it was thought that the crystalline polymorph II of benzophenone does not possess a stable domain in the pressure–temperature phase diagram. With a combination of new experimental results and literature data, this case of crystalline dimorphism has finally been solved and it is shown that form II possesses a stable domain at high pressure and high temperature, even though its density is lower than that of form I, the stable form under ordinary pressure and temperature conditions. The phase diagram of benzophenone is a clear demonstration of the fact that to understand the phase behaviour of a chemical substance both the exchange of heat (due to the change in intermolecular interactions) and work (due to the change of volume at a given pressure) need to be taken into account.
Keratin 7 expression in different anatomical parts of colonic epithelium in inflammatory bowel diseases and its prognostic value: a 3-year follow-up study
Authors: Tenhami Mervi , Polari Lauri , Kujari Harry , Löyttyniemi Eliisa , Toivola Diana M. , Voutilainen Markku
Published: July 2023

The diagnosis of inflammatory bowel diseases (IBD) may be challenging and their clinical course, characterized by relapses and spontaneous or drug-induced remissions, is difficult to predict. Novel prognostic biomarkers are needed. Keratin 7 (K7) is a cytoskeletal intermediate filament protein which is not normally expressed in the colonic epithelium. It was recently shown that K7 expression in the colonic epithelium is associated with ulcerative colitis and Crohn’s disease, the two main subtypes of IBD. Here we investigated IBD associated K7 neo-expression in different regions of colon and terminal ileum. The correlation of the K7 expression with the inflammatory activity of the epithelium was analyzed in each region. The prognostic value of K7 was estimated by comparing the clinical disease activity after 3 years with the K7 expression at the time of enrollment. Our data shows that the level of K7 expression in inflamed epithelium varies depending on the anatomical region and it is the most pronounced in ascending and descending colon, but it did not predict the severity of IBD for the following 3 years. These results warrant future studies focusing on the biological role of K7 in colon and its utilization as potential IBD biomarker.
New strategy for osseodensification during osteotomy in low-density bone: an in vitro experimental study
Authors: Bettach Raphael , Boukhris Gilles , De Aza Piedad N. , da Costa Eleani Maria , Scarano Antonio , Fernandes Gustavo Vicentis Oliveira , Gehrke Sergio Alexandre
Published: July 2023

The goal of this in vitro study was to evaluate and propose a new strategy for osseodensification technique using a drill counterclockwise to densification of bone of low density. Synthetic bone blocks of two different low densities (type III and IV) were used for the tests. The conventional drilling group (CD group) used Turbo-drill in a clockwise direction, and the osseodensification group (OD group) applied Turbo-drill in a counterclockwise direction. The applied tests were: (i) measurement of the temperature variation (ΔT) and (ii) measurement of the torque during the osteotomies, comparing the new strategy with the conventional drilling. Both groups were tested without (condition c1) and with (condition c2) irrigation, generating four subgroups: CDc1, CDc2, ODc1, and ODc2. Twenty osteotomies were made for each subgroup with a thermocouple positioned intra-bone (1 mm distant from the osteotomy) to measure the temperature produced. Other 20 samples/group were used to measure the torque value during each osteotomy in both synthetic bone density blocks. The mean of the ΔT during the osteotomies in type III bone was: 6.8 ± 1.26 °C for the CDc1 group, 9.5 ± 1.84 °C for the ODc1, 1.5 ± 1.35 °C for the CDc2, and 4.5 ± 1.43 °C for ODc2. Whereas, in the type IV bone, the ΔT was: 5.2 ± 1.30 °C for the CDc1 group, 7.0 ± 1.99 °C for the ODc1, 0.9 ± 1.05 °C for the CDc2, and 2.7 ± 1.30 °C for ODc2. The maximum torque during the osteotomies was: 8.8 ± 0.97 Ncm for CD samples and 11.6 ± 1.08 Ncm for OD samples in the type III bone; and 5.9 ± 0.99 Ncm for CD samples and 9.6 ± 1.29 Ncm for OD samples in the type IV bone. Statistical differences between the groups were detected in tests and conditions analyzed (p < 0.05). Using the drill counterclockwise for osseodensification in low-density bone generated a significantly greater torque of a drill than in CD and temperature variation during osteotomies. However, the temperature range displayed by the OD group was below critical levels that can cause damage to bone tissue.
Quantitative assessment of inner ear variation in elasmobranchs
Authors: Sauer Derek J. , Radford Craig A. , Mull Christopher G. , Yopak Kara E.
Published: July 2023

Considerable diversity has been documented in most sensory systems of elasmobranchs (sharks, rays, and skates); however, relatively little is known about morphological variation in the auditory system of these fishes. Using magnetic resonance imaging (MRI), the inner ear structures of 26 elasmobranchs were assessed in situ. The inner ear end organs (saccule, lagena, utricle, and macula neglecta), semi-circular canals (horizontal, anterior, and posterior), and endolymphatic duct were compared using phylogenetically-informed, multivariate analyses. Inner ear variation can be characterised by three primary axes that are influenced by diet and habitat, where piscivorous elasmobranchs have larger inner ears compared to non-piscivorous species, and reef-associated species have larger inner ears than oceanic species. Importantly, this variation may reflect differences in auditory specialisation that could be tied to the functional requirements and environmental soundscapes of different species.
Microevolutionary processes analysis in the Lithuanian genome
Authors: Pranckėnienė Laura , Urnikytė Alina , Kučinskas Vaidutis
Published: July 2023

Differences in the relative fitness of genomic variants are foundational, without these, neither natural selection nor adaption can exist. This research analyzed two microevolutionary forces, mutations, and positive selection, using whole genome sequencing data from Lithuanians across three generations: newborns (generation I), their parents (generation II), 60 years old Lithuanians, and the root ancestors (generation III). The main objective was to determine the frequency of mutations under selection in modern humans and how allele frequencies change across generations. Our results show that going through all the landscapes of the relative fitness on each chromosome, the general relative fitness background pattern remains the same in analysed generations. However, the tendency of relative fitness to decrease, in general, is noted. We hypothesize that the de novo genome variants or genome variants with a very low frequency that formed in the previous generation did not have time to be as affected by natural selection, thus, in the following generation, the force of natural selection acting on them is greater and their cumulative relative fitness also decreases. The strong natural selection pressure on the genetic regions that encode the NEGR1 and PTPN1/PTNP21 genes were also identified, highlighting the evolution of the Lithuanian population’s genome over generations, and possible genomic “deficiencies” for better adaptation.
Identification of hub genes and therapeutic drugs in osteonecrosis of the femoral head through integrated bioinformatics analysis and literature mining
Authors: Tang Lan , Li Bin , Su Qiuming , Chen Xi , He Rongxin
Published: July 2023

Osteonecrosis of the femoral head (ONFH) is a multifactorial disease leading to severely limited function. By far, the etiology and pathogenesis of ONFH are not fully understood, and surgery is the only effective way to treat ONFH. This study aims to identify hub genes and therapeutic drugs in ONFH. Two gene expression profiles were downloaded from the gene expression omnibus database, and the hub genes and candidate drugs for ONFH were identified through integrated bioinformatics analysis and cross-validated by literature mining. A total of 159 DEGs were identified. PTGS2, LRRK2, ANXA5, IGF1R, MCL1, TIMP2, LYN, CD68, CBL, and RUNX2 were validated as 10 hub genes, which has considerable implications for future genetic research and related research fields of ONFH. Our findings indicate that 85 drugs interact with ONFH, with most drugs exhibiting a positive impact on ONFH by promoting osteogenesis and angiogenesis or inhibiting microcirculation embolism, rather than being anti-inflammatory. Our study provides novel insights into the pathogenesis, prevention, and treatment of ONFH.
Effect of larval diets on the life table parameters of dengue mosquito, Aedes aegypti (L.) (Diptera: Culicidae) using age-stage two sex life table theory
Authors: Salim Muhammad , Kamran Muhammad , Khan Inamullah , Saljoqi Ahmad Ur Rahman , Ahmad Sarir , Almutairi Mikhlid H. , Sayed Amany A. , Aleya Lotfi , Abdel-Daim Mohamed M. , Shah Muddaser
Published: July 2023

The current study regarding the effects of larval diets on the life table parameters of dengue mosquitoes, Aedes aegypti was conducted under laboratory conditions at 27 ± 2 °C and 60 ± 5% relative humidity at NIFA (Nuclear Institute for Food and Agriculture) Peshawar, Pakistan. The data on life table parameters of Ae. aegypti reared on Diet 1 (replacement diet), Diet 2 (Khan’s diet for Anopheles), Diet 3 (Khan’s modified diet) and Diet 4 (IAEA diet) were analyzed using the age-stage, two-sex life table software. Diet 4 (IAEA) was used as a control for comparison. The results indicated that significantly maximum percentage of egg hatching of Ae. aegypti was observed when reared on Diet 4 (73.86%) and Diet 3 (72.90%), while less % of egg hatching was recorded in Diet 1 (40.67%) and Diet 2 (55.53%). The data further showed that the Diet 3 had a highest intrinsic rate of increase (r) (0.097 ± 5.68 day−1), finite rate of increase (λ) (1.10 ± 6.26 day−1) and net reproductive rate (R0) (11.99 ± 1.52 eggs/female) followed by Diet 2 and Diet 4. The mean generation time (T) of Ae. aegypti reared on Diet 3 (23.67 ± 0.86 days) and Diet 1 (24.05 ± 0.61 days) was significantly shorter than Diet 2 (26.15 ± 0.71 days) and Diet 4 (26.41 ± 0.38 days). The overall results revealed that Diet 3 showed good results at different life table parameters of Ae. aegypti and can be used as the preferred diet in the Sterile Insect Technique (SIT) where the mass culture of mosquitoes is required.
Forced labour risk is pervasive in the US land-based food supply
Authors: Blackstone Nicole Tichenor , Rodríguez-Huerta Edgar , Battaglia Kyra , Jackson Bethany , Jackson Erin , Benoit Norris Catherine , Decker Sparks Jessica L.
Published: July 2023

Social risk assessments and case studies of labour conditions in food production primarily focus on specific subpopulations, regions and commodities. To date, research has not systematically assessed labour conditions against international standards across diverse, complex food products. Here we combine data on production, trade, labour intensity and qualitative risk coding to quantitatively assess the risk of forced labour embedded in the US land-based food supply, building on our previous assessment of fruits and vegetables. We demonstrate that animal-based proteins, processed fruits and vegetables, and discretionary foods are major contributors to forced labour risk and that 62% of total forced labour risk stems from domestic production or processing. Our findings reveal the widespread risk of forced labour present in the US food supply and the necessity of collaborative action across all countries—high, middle and low income—to eliminate reliance on labour exploitation.
Unraveling the origin of the cooperative adsorption of carbon monoxide in an Fe(ii) metal–organic framework
Authors: Jose Reshma , Pal Sourav , Rajaraman Gopalan
Published: July 2023

Using periodic DFT calculations, we unveil the mechanism of cooperative CO adsorption in an Fe(ii) bistriazolate MOF, where both structural distortion and electronic effects are found to play an active role.
Bifunctional electrolyte additive MgI2for improving cycle life in high-efficiency redox-mediated Li–O2batteries
Authors: Li Wei , Sheng Chuanchao , Wang Lei , Sun Xinyi , Mu Xiaowei , He Ping , Zhou Haoshen
Published: July 2023

MgI2is used as a bifunctional self-defense redox mediator in dimethyl sulfoxide-based Li–O2batteries, resulting in increased discharge capacity, a lower charge overpotential of roughly 0.60 V, and a longer cycle life of over 400 cycles.
Preparation of rare-earth doped NaYF4 luminescent nanoparticles by a high-energy ball milling process
Authors: Koshelev Aleksandr V. , Grebenev Vadim V. , Arkharova Natalia A. , Shiryaev Andrey A. , Karimov Denis N.
Published: July 2023

An optimized scalable production of single-phase rare-earth doped β-NaYF4 nanoparticles is developed by the high-energy ball milling. This approach opens up prospects for the photoluminescent nanomaterials fabrication for biotechnology and photonics.
Simplified and enhanced VCD analysis of cyclic peptides guided by artificial intelligence
Authors: Batista João M. , Nicu Valentin Paul
Published: July 2023

AI-guided VCD analysis makes the stereochemical assignemnt of cyclic peptides easier and more accurate.
Moderate direct band-gap energies and high carrier mobilities of Janus XWSiP2 (X = S, Se, Te) monolayers via first-principles investigation
Authors: Nguyen Hiep T. , Cuong Nguyen Q. , Vi Vo T. T. , Hieu Nguyen N. , Tran Linh P. T.
Published: July 2023

Two-dimensional (2D) Janus materials with extraordinary properties are promising candidates for utilization in advanced technologies.
Experimentally revealed and theoretically certified synergistic electronic interaction of V-doped CoS for facilitating the oxygen evolution reaction
Authors: Zhang Jingjing , Deng Wei , Weng Yun , Li Xiang , Mao Haifang , Lu Tiandong , Zhang Wenqian , Long Dewu , Jiang Fei
Published: July 2023

Excellent oxygen evolution performance was observed for VCoS NPs prepared without noble metals.
Composition sensitive selectivity and activity of electrochemical carbon dioxide reduction on Pd–Cu solid-solution alloy nanoparticles
Authors: Todoroki Naoto , Ishijima Masanao , Cuya Huaman Jhon L. , Tanaka Yuto , Balachandran Jeyadevan
Published: July 2023

The alloy-composition-sensitive selectivity and activity of CO2RR have been demonstrated for Pd-Cu solid solution nanopaticles.
Carbon oxidation with sacrificial anodes to inhibit O2 evolution in membrane-less bioelectrochemical systems for microbial electrosynthesis
Authors: Rohbohm Nils , Sun Tianran , Blasco-Gómez Ramiro , Byrne James M. , Kappler Andreas , Angenent Largus T.
Published: July 2023

Carbon oxidation reaction enables a membrane-less bioelectrochemical system for microbial electrosynthesis.
Thermal and nonthermal processing of an underutilized fruit Emblica officinalis (Amla): a sustainable approach
Authors: Tewari Rishika , Kumar Vivek , Sharma H. K.
Published: July 2023

Indian gooseberry or amla (Emblica officinalis) belongs to the Euphorbiaceae family and is undoubtedly the chief medicinal plant of the Indian Ayurvedic medicine system.
Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy
Authors: Hoarau Marie , Sermmai Patpanat , Varatthan Thaveechai , Thiabma Ratthiya , Jantra Tararat , Rattanajak Roonglawan , Vitsupakorn Danoo , Vanichtanankul Jarunee , Saepua Siriporn , Yuthavong Yongyuth , Thongpanchang Chawanee , Kamchonwongpaisan Sumalee
Published: July 2023

The screen of a fragment library identified hydrophobic fragments binding to drug resistant PfDHFR active site. Lead design using fragment-linking strategy yielded compounds with nM antimalarial activity, no cytotoxicity and drug-like properties.
Conformational preferences of aza-proline residues and their impact on the relative stability of polyproline structures
Authors: Park Hae Sook , Kang Young Kee
Published: July 2023

The collagen model peptide Ac-(Hyp-Gly-Pro)2-NMe2 with the replacement of Pro3 by azPro in the middle of the sequence well adopted polyproline II structures with RMSD = 0.6 Å in water.
Weyl nodal lines, Weyl points and the tunable quantum anomalous Hall effect in two-dimensional multiferroic metal oxynitride: Tl2NO2
Authors: Zhang Shuo , Zhang Xiaoming , He Zeqing , Jin Lei , Liu Cong , Liu Ying , Liu Guodong
Published: July 2023

The investigation of two-dimensional (2D) multiferroic and topological quantum phases is a significant topic in current condensed matter physics.
Early-stage oral cancer diagnosis by artificial intelligence-based SERS using Ag NWs@ZIF core–shell nanochains
Authors: Xie Xin , Yu Wenrou , Chen Zhaoxian , Wang Li , Yang Junjun , Liu Shihong , Li Linze , Li Yanxi , Huang Yingzhou
Published: July 2023

Surface-enhanced Raman spectroscopy (SERS) has great potential in early diagnosis of diseases by detecting volatile biomarkers in exhaled breath, for its high sensitivity, rich chemical molecular fingerprint information, and immunity to humidity.
Recent advances in molybdenum diselenide-based electrocatalysts: preparation and application in the hydrogen evolution reaction
Authors: Yang Chunming , Li Xiang , Liang Yucang
Published: July 2023

This review summarizes the preparation of MoSe2-based materials, their application in hydrogen evolution reaction (HER), the catalytic mechanism for improved HER performance, structure–performance correlations and the challenges in the future.
Neutral cobalt(ii)-bis(benzimidazole)pyridine field-induced single-ion magnets for surface deposition
Authors: Juráková Jana , Fellner Ondřej F. , Schlittenhardt Sören , Vavrečková Šárka , Nemec Ivan , Herchel Radovan , Čižmár Erik , Santana Vinicius Tadeu , Orlita Milan , Gentili Denis , Ruani Giampiero , Cavallini Massimiliano , Neugebauer Petr , Ruben Mario , Šalitroš Ivan
Published: July 2023

Two hexacoordinated Co(ii) complexes were prepared, characterised, and deposited on silicon surface in the logical structures. The magnetic anisotropy and slow relaxation of magnetisation was studied by experimental and theoretical approaches.
Oxygen vacancies meet partial S substitution: an effective strategy to achieve obvious synergistic effects and adjustable electrochemical behavior in NiFe-LDH for enhanced OER and capacitive performance
Authors: Shi Dong , Ji Yajun , Lu Faxue , Yao Junnan , Zhang Shixiong , Zhang Pengcheng
Published: July 2023

Attributed to the strong synergy between S and oxygen vacancies, as well as the adjustable electrochemical behavior, the prepared bifunctional electrode exhibited superior OER and capacitive performance.
A biomimetic approach to aerobic oxidation of amines in water via a redox-active cacotheline organocatalyst
Authors: Baek Jisun , Kim Hun Young , Oh Kyungsoo
Published: July 2023

The low catalyst loading of cacotheline organocatalyst combined with the ready separation of products in high purity without further purification steps demonstrates the greener and more sustainable approach to the aerobic amine oxidation chemistry.
Facile synthesis of chiral 2-functionalized tetrahydroquinolines via Pd/Cu-catalyzed cascade γ-C(sp3)–H arylation/C–N coupling of amides derived from amino acids and their derivatives
Authors: Yu Dian , Peng Si-Yuan , Wang Han , Zheng Qiu-Cui , Ma Ya-Hui , Xiao Dong-Yi , Li Qian-Li , Wang Wen-Shu , Cui Xiao-Jie , Luo Fei-Xian
Published: July 2023

We successfully explored a one-pot strategy to synthesize valuable chiral 2-functionalized tetrahydroquinoline motifs through the precise modification of amides derived from commercially available natural amino acids.
A Barton nitrite ester-type remote functionalization and cyclization of N-nitrosobenzamides
Authors: Huang Tao , Yuan Pan-Feng , Dong Kui , Zong Yuan-Yuan , Liu Can , Wang Rui-Heng , Jin Xiao-Ling , Liu Qiang
Published: July 2023

The preparation of benzo[d][1,2]oxazin-1-ones from N-ethyl-N-nitrosobenzamides was established via a visible-light-driven Barton reaction and subsequent nucleophilic cyclization.
Curcumin-loaded mesoporous silica nanoparticles for drug delivery: synthesis, biological assays and therapeutic potential – a review
Authors: Iranshahy Milad , Hanafi-Bojd Mohammad Yahya , Aghili Seyed Hadi , Iranshahi Mehrdad , Nabavi Seyed Mohammad , Saberi Satar , Filosa Rosanna , Nezhad Iman Farzam , Hasanpour Maede
Published: July 2023

Curcumin-loaded mesoporous silica nanoparticles (MSNs) have shown promise as drug delivery systems to address the limited pharmacokinetic characteristics of curcumin.
Pressure-induced physical properties in topological semi-metal TaM2 (M = As, Sb)
Authors: Nobin Md. Nadim Mahamud , Khan Mithun , Islam Syed Saiful , Ali Md. Lokman
Published: July 2023

In this study, DFT based first principles calculations are used for measuring the structural, elastic, mechanical, electronic, optical and thermodynamic features of topological semimetal TaM2 (M = As, Sb) under various pressures.
Hierarchical zeolite catalysed fructose dehydration to 5-hydroxymethylfurfural within a biphasic solvent system under microwave irradiation
Authors: Xiang Huaizhong , Zainal Shima , Jones Henry , Ou Xiaoxia , D'Agostino Carmine , Esteban Jesús , Parlett Christopher M. A. , Fan Xiaolei
Published: July 2023

The aqueous catalytic dehydration of fructose to HMF over Y zeolite in a DMSO water reaction phase under microwave irradiation is followed by subsequent product extraction into an organic phase for optimal HMF yields through reduced humin formation.
Electrochemical lithiation-induced formation of disordered rocksalt
Authors: Leesmith Matthew J. A. , Halcovitch Nathan R. , Hua Xiao
Published: July 2023

We present here a general crystallographic principle to prepare cation DRX electrode materials via electrochemical lithiation.
Deep metal-assisted chemical etching using a porous monolithic AgAu layer to develop neutral-colored transparent silicon photovoltaics
Authors: Shin HyeonOh , Lee Kangmin , Mun Jinhong , Roh Deok-Ho , Hwang Eunhye , Park Jeonghwan , Lee Geunsik , Seo Kwanyong , Kwon Tae-Hyuk
Published: July 2023

We report deep metal-assisted chemical etching using a porous monolithic AgAu layer on crystalline silicon as an alternative to the expensive deep reactive ion etching for fabricating neutral-colored transparent crystalline silicon photovoltaics.
A near-infrared light responsive temperature-sensing switch in a submicro-channel heterogeneous membrane
Authors: Tang Yuan-Ju , Cheng Kai , Zhang Pei-Jie , He Yan-Fei , Ma Meng-Wen , Su Wen-Ming , Wang Guo-Ping , Fan Jin-Xuan , Zhao Yuan-Di
Published: July 2023

A submicro-channel heterogeneous membrane with an 808 nm near-infrared light response is constructed as a temperature-sensing switch, showing a good ion current rectification effect and high photoresponsive current even at a high salt concentration.
The reference electrode dilemma in energy conversion electrocatalysis: “right vs. okay vs. wrong”
Authors: Anantharaj Sengeni , Sagayaraj Prince J. J. , Yesupatham Manova Santhosh , Arulraj Roshini , Eswaran Karthik , Sekar Karthikeyan , Noda Suguru
Published: July 2023

A critical experimental analysis finding the answer to the question, ‘Can we use any reference electrode irrespective of its pH-compatibility?’.
Concentric-mineralized hybrid silk-based scaffolds for bone tissue engineeringin vitromodels
Authors: Bosio Valeria E. , Rybner Christofer , Kaplan David L.
Published: July 2023

Addressing 3D-tissuein vitromodel challenges in bone physiology and disease.
Injectable, antibacterial, and oxygen-releasing chitosan-based hydrogel for multimodal healing of bacteria-infected wounds
Authors: Bochani Shayesteh , Zarepour Atefeh , Kalantari-Hesari Ali , Haghi Fakhri , Shahbazi Mohammad-Ali , Zarrabi Ali , Taheri Sophia , Maleki Aziz
Published: July 2023

This study introduces a novel antibacterial multifunctional hydrogel with synergistic chemodynamic and photothermal features for wound healing applications.
Insights into the electron transport performance of the FAPbI3/SnO2interface
Authors: Feng Xiangxiang , Liu Biao , Cai Mengqiu , Yang Junliang
Published: July 2023

The PbI2/SnO interface contact in the FAPbI3/SnO2interface shows the best electron transport performance.
Construction of efficient and stable CsPbBr3 nanocrystals via calcium and fluorine ion combined-treatment for light-emitting diodes
Authors: Liu Mingming , Wan Qun , Liao Xinrong , Zhan Wenji , Yuan Changwei , Zhang Qinggang , He Mengda , Zou Cong , Pan Meitian , Kong Long , Li Liang
Published: July 2023

Calcium and fluorine ions combined-passivation perovskite nanocrystals through a room-temperature triple-ligand method exhibit excellent photostability, thermal-resistance and light-emitting diodes performance.
The transparent photovoltaic NiO/TiO2 orderly nanoarray pn junction via synergism of AgInS2 quantum dots and Ti3+ self-doping
Authors: Lu Lei , Que Lixin , Xu Yunlong , Cao Jun , Wang Jingjing , Zheng Yingying , Shi Lei , Zhong Wenwu , Li Chaorong , Pan Jiaqi
Published: July 2023

A NiO/TiO2 orderly nanoarray transparent pn junction with AgInS2 QDs and Ti3+ self-doping synergism towards photovoltaic conversion enhancement.
Exploring regression-based QSTR and i-QSTR modeling for ecotoxicity prediction of diverse pesticides on multiple avian species
Authors: Podder Trina , Kumar Ankur , Bhattacharjee Arnab , Ojha Probir Kumar
Published: July 2023

Ensuring the protection of endangered bird species from pesticide exposure plays a vital role in safeguarding ecosystem integrity.
Machine learning-aided unraveling of the importance of structural features for the electrocatalytic oxygen evolution reaction on multimetal oxides based on their A-site metal configurations
Authors: Sugawara Yuuki , Chen Xiao , Higuchi Ryusei , Yamaguchi Takeo
Published: July 2023

Machine learning analysis revealed the importance of structural features involving A-site metals in AxByOz multimetal oxides for their OER activity.
Clinical Assessment of Communication-Related Speech Parameters in Dysarthria: The Impact of Perceptual Adaptation
Authors: Wolfrum Vera , Lehner Katharina , Heim Stefan , Ziegler Wolfram
Published: July 2023

Purpose:

In current clinical practice, intelligibility of dysarthric speech is commonly assessed by speech-language therapists (SLTs), in most cases by the therapist caring for the patient being diagnosed. Since SLTs are familiar with dysarthria in general and with the speech of the individual patient to be assessed in particular, they have an adaptation advantage in understanding the patient's utterances. We examined whether and how listeners' assessments of communication-related speech parameters vary as a function of their familiarity with dysarthria in general and with the diagnosed patients in particular.

Method:

Intelligibility, speech naturalness, and perceived listener effort were assessed in 20 persons with dysarthria (PWD). Patients' speech samples were judged by the individual treating therapists, five dysarthria experts who were unfamiliar with the patients, and crowdsourced naïve listeners. Adaptation effects were analyzed using (a) linear mixed models of overall scoring levels, (b) regression models of severity dependence, (c) network analyses of between-listener and between-parameter relationships, and (d) measures of intra- and interobserver consistency.

Results:

Significant advantages of dysarthria experts over laypeople were found in all parameters. An overall advantage of the treating therapists over nonfamiliar experts was only seen in listening effort. Severity-dependent adaptation effects occurred in all parameters. The therapists' responses were heterogeneous and inconsistent with those of the unfamiliar experts and the naïve listeners.

Conclusions:

The way SLTs evaluate communication-relevant speech parameters of the PWD whom they care for is influenced not only by adaptation benefits but also by therapeutic biases. This finding weakens the validity of assessments of communication-relevant speech parameters by the treating therapists themselves and encourages the development and use of alternative methods.
Increasing the resiliency of power systems in presence of GPS spoofing attacks: A data‐driven deep‐learning algorithm
Authors: Sabouri Mohammad , Siamak Sara , Dehghani Maryam , Mohammadi Mohsen , Asemani Mohammad Hasan , Hesamzadeh Mohammad Reza , Peric Vedran
Published: July 2023

The growing use of wireless technologies in power systems has raised concerns about cybersecurity, particularly regarding GPS spoofing attacks (GSAs). These attacks manipulate GPS data, leading to modifications in the phase angle of phasor measurement units (PMUs). In this paper, a Deep‐learning GPS‐Spoofing Counteraction (DLGSC) algorithm is proposed, utilizing PMU data for GSA detection and PMU data correction. The algorithm incorporates a recurrent neural network (RNN) and a set of long short‐term memory (LSTM) units separately, for signal correction after attack detection. Unlike existing methods that struggle with simultaneous attacks or they are static methods, DLGSC tackles these challenges by leveraging deep learning techniques. By selecting appropriate features for GSA detection, DLGSC achieves accurate results. The algorithm is evaluated on standard IEEE 14‐bus and IEEE 39‐bus power systems, and its performance is compared to statistical, dynamic, and Deep Learning (DL) methods in the literature. Additionally, an experimental setup is designed to validate the algorithm in a laboratory environment. Results demonstrate the easy‐implementable DLGSC algorithm's satisfactory real‐time performance in various scenarios, such as load variations and noise, achieving over 98% accuracy. Notably, DLGSC is cable of detecting multiple GSAs on different PMUs.
When Evidence Goes “Missing in Action”: Implications for Patient Management in Cardiac Surgery
Authors: Reynolds Penny S.
Published: July 2023

Best-practice clinical decision-making for patient blood management (PBM) and transfusion in cardiac surgery requires high-quality, timely information. However, evidence will be misleading if published information lags too far behind evolving practice, or if trial results are biased, incomplete, or unreported. The result is that providers are deprived of accurate data, and patients will not receive best possible care. Publicly accessible trial registries provide information for structured audits of reporting compliance, and appraisal of evidence attrition and distortion. Trials related to blood management and transfusion in cardiac surgery and those registered in ClinicalTrials.gov were evaluated for relevance, reliability, transparency, timeliness, and prevalence of unreported trial results. Evidence was considered to have “disappeared” if no results were posted to the registry and no related PUBMED publications were available by July 2019. Data were summarized by descriptive statistics. A total of 181 registered trials were surveyed; 52% were prospectively registered. Most commonly reported primary outcomes were laboratory surrogate measures (34%). Patient- and practice-relevant outcomes—mortality/major morbidity (7%), transfusion (27%), and major bleeding (28%)—were less common. Only seven studies posted results to the registry within the mandated 12 months from study completion; median time to posting was 17 (interquartile range [IQR] 13, 37) months. Trial results for 58% were unreported 3–9 years after trial completion. A staggering amount of clinical trial evidence for PBM in cardiac surgery is missing from publicly accessible records and the literature. Investigators must be incentivized to promptly and completely report all results. Penalties for noncompliance are already in place and should be enforced. Simplified information linkage, centralized and routine audit cycles, and prioritization of robust “living” reviews may be more positive motivators. Implementation will require a sea change in the prevailing culture of research reporting, plus coordinated efforts of clinicians, applied statisticians, information technology specialists, and research librarians.
The Feasibility of a Trial of Labor after Two Cesarean Deliveries: Outcomes and Prognostic Factors for Success
Authors: Lopian Miriam , Perlman Sharon , Cohen Ronnie , Rosen Hadar , Many Ariel , Kashani-Ligumsky Lior
Published: July 2023

Objective This study aimed to determine whether a trial of labor after two cesarean deliveries (TOLAC2) increases the risk of adverse maternal and neonatal outcomes and identify prognostic factors for TOLAC2 success.

Study Design A retrospective cohort study was conducted at a single medical center. The study group was comprised of women with a history of TOLAC2. Outcomes were compared with women undergoing trial of labor after one previous cesarean delivery (TOLAC1). The primary outcome was trial of labor after cesarean delivery (TOLAC) success. Secondary outcomes included mode of delivery, uterine rupture, and combined adverse outcome (CAO; uterine rupture, postpartum hemorrhage, 5-minute Apgar score < 7, pH < 7.1). Logistic regression was used for the multivariate analysis to identify prognostic factors for TOLAC2 success.

Results A total of 381 women who underwent TOLAC2 were compared with 3,635 women who underwent TOLAC1. Women attempting TOLAC2 were less likely to achieve vaginal births after cesarean delivery (VBAC; 80.8 and 92.5%; odds ratio [OR]: 0.35; 95% confidence interval [CI]: 0.26–0.47; p < 0.001) and more likely to experience uterine rupture (0.8 vs. 0.2%; OR: 4.1; 95% CI: 1.1–15.9; p = 0.02) but not CAO (4.2 vs. 4.8%; OR: 0.88; 95% CI: 0.5–1.5; p = 0.3). TOLAC2 women with no previous vaginal deliveries had a lower chance of VBAC and a higher risk of uterine rupture compared with TOLAC1 women without a prior vaginal delivery (45.2 vs. 86.3%; OR: 0.13; 95% CI: 0.07–0.25; p < 0.001; 2.3 vs. 0%) and TOLAC2 women with a prior vaginal delivery (45.2 vs. 85.3%; OR: 0.14; 95% CI: 0.1–0.3; p < 0.0001; 2.4 vs. 0.6%; OR: 4.1; 95% CI: 0.4–46.3; p = 0.3). Multivariate analysis revealed that a history of vaginal delivery is an independent predictor of TOLAC2 success.

Conclusion Women attempting TOLAC2 are less likely to achieve VBAC and are at greater risk of uterine rupture compared with those attempting TOLAC1. Despite these risks, the overall success rates remain very high, and the absolute risk of adverse outcomes is still very low. Prior vaginal delivery seems to have a protective effect on TOLAC outcomes. These data should be used to counsel women and assist in decision-making when considering the mode of delivery in women with two previous cesarean sections.

Key Points
Decreasing Patient Radiation Exposure from Computed Tomography for Hip Preservation Surgery
Authors: Marland Jennifer D. , Smythe Jason , Barlow Daniel , Whiting Daniel , Payne Brayden , West Hugh S. , Wylie James D.
Published: July 2023

This article describes how we were able to decrease patient radiation exposure from hip computed tomography (CT) for hip preservation evaluation without a degradation of image quality. This is a retrospective review of a quality improvement project. The study included patients who underwent hip CT at a single center as part of a clinical evaluation for young adult hip pain. Four distinct protocols were used during the study period. All protocols included at CT scan of the hip with slices through the distal femur to evaluate femoral version. Patient variables collected included age, gender, and body mass index (BMI). The dose–length product was collected and the effective dose in millisieverts (mSv) was calculated. Differences in dose between protocols were compared using analysis of variance with appropriate post hoc tests and multivariate general linear regression. A total of 613 patients underwent hip CT during the study period with 304 patients in protocol 1, 83 in protocol 2, 136 in protocol 3, and 91 in protocol 4. When controlling for age, gender, and BMI there was a significant decrease in effective dose of radiation from protocol 1 (3.63 mSv) to protocol 2 (3.06 mSv) (p = 0.002) and protocol 2 (3.06 mSv) to protocol 3 (2.16 mSv) (p < 0.001). There was no difference between protocol 3 (2.16 mSv) and protocol 4 (2.10 mSv) (p = 0.269) but protocol 4 was easier to administer. In regression modeling, BMI (p < 0.001) and protocol used (p < 0.001) were independent predictors of effective radiation dose (model R
2 = 0.585). Through a longitudinal clinical quality improvement project, we were able to decrease the effective radiation exposure to patients undergoing hip CT for hip preservation evaluation by close to 50%. Only CT protocol used and patient's BMI were predictors of ionizing radiation exposure.

Level of Evidence Level 3, retrospective comparative study.