bluuebunny/crossref_metadata_2025_split huggingface dataset:
Clinical Outcomes of Nasoalveolar Moulding in Bilateral Cleft Lip and Palate
Authors: Pragya Prachi , Sharma A. K , Kumar Sanjay , Singh Priyankar , Singh Nimmi 
Published: September 2024

Introduction: Nasoalveolar Moulding (NAM) is a pre-surgical technique designed to reshape the alveolus, lip, and nose in infants with cleft lip and palate. The objectives of NAM for bilateral cleft lip and palate include: retracting the premaxilla using extraoral traction via lip taping, preserving the arch form with a passive appliance, developing clinically significant columellar tissue, and achieving harmonious nasal tip projection.
Aim and Objective: To access effectiveness of nasoalveolar moulding on alveolus and nose in bilateral cleft lip and palate.
Study Design: Descriptive study.
Place and Duration of Study: IGIMS, Patna. Between March 2022 and March 2024.
Material and Method: This descriptive study comprised 10 infants with bilateral cleft lip and palate (BCLP), undergoing nasoalveolar moulding (NAM). The mean age of the infants at the start of the study was <6 weeks, impression was taken over which NAM appliance was fabricated and adjusted weekly depending upon progress of the treatment. Nasal stents were incorporated once the cleft width was reduced to 6 mm. Duration of treatment extends to 25 to 29 weeks. Post NAM impression was taken, alveolar and nasal measurements were recorded.
Result: Right & left Alveolar cleft width, mid-palatal arch width decreases significantly. Columellar length, right & left nasal height increase due to tissue elongation. Right & left nasal width and bialar width decreases significantly.
Conclusion: NAM therapy should be considered an integral part of the multidisciplinary approach to managing cleft lip and palate, improving not only the surgical outcomes but also the overall quality of life for affected infants.
Assessment of the Potential Mechanisms of Anti-diarrhoeal Activities of Ethanol Extract of Monoon longifolium Leave in Wistar Rat
Authors: Celestine Ugwu Obiora , Doris Umeakuana Chidinma , Gloria Ogbonna Chidera , Lilian Asadu Chidinma , Jude Ali Ibeabuchi , Keneolisa Asogwa Felix , Casmir Uzoefuna Chima , Collins Ogbu Chukwudi , Kingsley Nwokedi Chukwuebuka , Assumpta Anosike Chioma 
Published: September 2024

Background: Numerous diseases related to diarrhea are the primary cause of morbidity and mortality in underdeveloped countries, accounting for hundreds of thousands of deaths annually. Polyalthia longifolia, the false ashoka, commonly referred to as Monoon longifolium is a tree species from Asia. It is commonly found in southern india, Sri Lanka and Nigeria. Polyalthia longifolia has been utilized for decades to treat an extensive variety of illnesses, including diarrhea.
Method: The plant was extracted with ethanol using cold maceration. Preliminary qualitative and quantitative phytochemical screening of ethanol extract of Polyalthia longifolia leaf was conducted using the techniquees of Harbone (1998); Trease and Evans (1978). The Lorke (1983) approach was used to calculate the Median Lethal Dose (LD50). Diarrhea caused by castor oil was produced using the Awouter et al., 1973 method. The testing for gastrointestinal transit was conducted using the Mascolo et al. (1996) technique. The Tietz (1994) method was used to conduct the electrolyte levels assay. The assay for kidney function indicators was conducted using Bartels and Bohmer's (1972) methodology.
Results: The results of phytochemical screening showed that alkaloids and tannins occurred in high concentration, flavonoids and steroids occurred in moderate concentration, whereas terpenoids, glycosides and phenolic acid occurred in lowest concentration. The acute toxicity study revealed that the plant extract was not toxic even at the dose of 5000 mg/kg. Groups treated with 200,400, and 600 mg/kg b.w of extract showed significant (P < 0.05) inhibition in the frequency of defecation of wet feces and total fecal output compared with positive control. Similarly, Groups treated with 200, 400, and 600 mg/kg body weight of extract demonstrated significant (P < 0.05) antimotility activity when compared with the positive control. However, groups treated with 200,400 and 600mg/kg body weight showed a significant (P < 0.05) increase in chlorine and sodium with corresponding decrease in bicarbonate and potassium level when compared with the positive control. The results from kidney function markers showed that groups treated with 200, 400 and 600 mg/kg b.w in a dose dependent manner showed a significant (p < 0.05) reduction in creatine and urea when compared with positive control.
Conclusion: The ethanol leaf extract of Polyalthia longifolia has considerable antidiarrheal activity on castor oil-induced diarrhea and gastrointestinal motility models, confirming the reason for its wide use in traditional treatment of diarrheal conditions.
Holocene population history of the Sabana de Bogotá region, Northern South America: An assessment of the craniofacial shape variation
Authors: Delgado Miguel 
Published: October 2016

AbstractObjectivesSeveral authors using multiple and independent lines of evidence investigating the biocultural continuity versus discontinuity in the Sabana de Bogotá region, in the eastern highlands of Colombia, have arrived at contradictory conclusions supporting either scenarios. This study analyzes the craniofacial size and shape variation of diachronic samples from the study region to test distinct population history scenarios that support continuity or, alternatively, divergence.Materials and methodsA total of 92 adult skulls belonging to five chronological groups, ranging from c. 10,100 to 350 14C YBP, were analyzed through Procrustean geometric morphometric techniques. Matrix correlation analysis, multivariate exploratory (PCA, FDA), and evolutionary quantitative genetic methods (R‐matrix analysis and β‐test) were used to study the diachronic craniofacial shape variation.ResultsA model that supports strong evolutionary diversification over the Holocene better explains the patterns of morphological variation observed. At least two periods of significant craniofacial size and shape change were detected: one during the middle to initial late Holocene transition (c. 4,000–3,200 14C YBP) and other toward the final late Holocene (post‐2,000 14C YBP), which exhibit differences in the pattern and magnitude of cranial divergence. In addition, the differentiation viewed between early and mid‐Holocene foragers could mark the initial entry of non‐local populations into the region toward the beginnings of the middle Holocene.DiscussionDistinct to previous investigations the present study supports a more complex regional population history where multiple population contractions/extinctions, dispersals and assimilations along with dietary adaptations took place during the last 10,000 years. These results are in agreement with the archaeological and paleoecological record which suggests marked periods of change rather than temporal stability.
Weaning practices among pastoralists: New evidence of infant feeding patterns from Bronze Age Eurasia
Authors: Ventresca Miller Alicia , Hanks Bryan K. , Judd Margaret , Epimakhov Andrey , Razhev Dmitry 
Published: October 2016

AbstractObjectivesThis paper investigates infant feeding practices through stable carbon (δ13C) and nitrogen (δ15N) isotopic analyses of human bone collagen from Kamennyi Ambar 5, a Middle Bronze Age cemetery located in central Eurasia. The results presented are unique for the time period and region, as few cemeteries have been excavated to reveal a demographic cross‐section of the population. Studies of weaning among pastoral societies are infrequent and this research adds to our knowledge of the timing, potential supplementary foods, and cessation of breastfeeding practices.Materials and methodsSamples were collected from 41 subadults (<15 years) and 27 adults (15+ years). Isotopic reference sets from adult humans as well as faunal remains were utilized as these form the primary and complementary foods fed to infants.ResultsSlight shifts in δ13C and δ15N values revealed that weaning was a multi‐stage process (breastfeeding, weaning, and complete cessation of nursing) that began at 6 months of age, occurred over several years of early childhood, and was completed by 4 years of age.DiscussionOur results indicate that weaning was a multi‐stage process that was unique among late prehistoric pastoralist groups in Eurasia that were dependent on milk products as a supplementary food. Our discussion centers on supporting this hypothesis with modern information on central and east Eurasian herding societies including the age at which complementary foods are introduced, the types of complementary foods, and the timing of the cessation of breastfeeding. Integral to this work is the nature of pastoral economies and their dependence on animal products, the impact of complementary foods on nutrition and health, and how milk processing may have affected nutrition content and digestibility of foods. This research on Eurasian pastoralists provides insights into the complexities of weaning among prehistoric pastoral societies as well as the potential for different complementary foods to be incorporated into infant diets in the past.
Polystyrene Sulfonate Threaded through a Metal–Organic Framework Membrane for Fast and Selective Lithium‐Ion Separation
Authors: Guo Yi , Ying Yulong , Mao Yiyin , Peng Xinsheng , Chen Banglin 
Published: October 2016

AbstractExtraction of lithium ions from salt‐lake brines is very important to produce lithium compounds. Herein, we report a new approach to construct polystyrene sulfonate (PSS) threaded HKUST‐1 metal–organic framework (MOF) membranes through an in situ confinement conversion process. The resulting membrane PSS@HKUST‐1‐6.7, with unique anchored three‐dimensional sulfonate networks, shows a very high Li+ conductivity of 5.53×10−4 S cm−1 at 25 °C, 1.89×10−3 S cm−1 at 70 °C, and Li+ flux of 6.75 mol m−2 h−1, which are five orders higher than that of the pristine HKUST‐1 membrane. Attributed to the different size sieving effects and the affinity differences of the Li+, Na+, K+, and Mg2+ ions to the sulfonate groups, the PSS@HKUST‐1‐6.7 membrane exhibits ideal selectivities of 78, 99, and 10296 for Li+/Na+, Li+/K+, Li+/Mg2+ and real binary ion selectivities of 35, 67, and 1815, respectively, the highest ever reported among ionic conductors and Li+ extraction membranes.
HNO‐Binding in Heme Proteins: Effects of Iron Oxidation State, Axial Ligand, and Protein Environment
Authors: Khade Rahul L. , Yang Yuwei , Shi Yelu , Zhang Yong 
Published: October 2016

AbstractHNO plays significant roles in many biological processes. Numerous heme proteins bind HNO, an important step for its biological functions. A systematic computational study was performed to provide the first detailed trends and origins of the effects of iron oxidation state, axial ligand, and protein environment on HNO binding. The results show that HNO binds much weaker with ferric porphyrins than corresponding ferrous systems, offering strong thermodynamic driving force for experimentally observed reductive nitrosylation. The axial ligand was found to influence HNO binding through its trans effect and charge donation effect. The protein environment significantly affects the HNO hydrogen bonding structures and properties. The predicted NMR and vibrational data are in excellent agreement with experiment. This broad range of results shall facilitate studies of HNO binding in many heme proteins, models, and related metalloproteins.
H2S Sensors: Fumarate‐Based fcu‐MOF Thin Film Grown on a Capacitive Interdigitated Electrode
Authors: Yassine Omar , Shekhah Osama , Assen Ayalew H. , Belmabkhout Youssef , Salama Khaled N. , Eddaoudi Mohamed 
Published: October 2016

AbstractHerein we report the fabrication of an advanced sensor for the detection of hydrogen sulfide (H2S) at room temperature, using thin films of rare‐earth metal (RE)‐based metal–organic framework (MOF) with underlying fcu topology. This unique MOF‐based sensor is made via the in situ growth of fumarate‐based fcu‐MOF (fum‐fcu‐MOF) thin film on a capacitive interdigitated electrode. The sensor showed a remarkable detection sensitivity for H2S at concentrations down to 100 ppb, with the lower detection limit around 5 ppb. The fum‐fcu‐MOF sensor exhibits a highly desirable detection selectivity towards H2S vs. CH4, NO2, H2, and C7H8 as well as an outstanding H2S sensing stability as compared to other reported MOFs.
Palladium(II) Acetylide Complexes with Pincer‐Type Ligands: Photophysical Properties, Intermolecular Interactions, and Photo‐cytotoxicity
Authors: Hung Faan‐Fung , Wu Shui‐Xing , To Wai‐Pong , Kwong Wai‐Lun , Guan Xiangguo , Lu Wei , Low Kam‐Hung , Che Chi‐Ming 
Published: October 2016

AbstractTwo classes of cationic palladium(II) acetylide complexes containing pincer‐type ligands, 2,2′:6′,2′′‐terpyridine (terpy) and 2,6‐bis(1‐butylimidazol‐2‐ylidenyl)pyridine (C^N^C), were prepared and structurally characterized. Replacing terpy with the strongly σ‐donating C^N^C ligand with two N‐heterocyclic carbene (NHC) units results in the PdII acetylide complexes displaying phosphorescence at room temperature and stronger intermolecular interactions in the solid state. X‐ray crystal structures of [Pd(terpy)(C≡CPh)]PF6 (1) and [Pd(C^N^C)(C≡CPh)]PF6 (7) reveal that the complex cations are arranged in a one‐dimensional stacking structure with pair‐like PdII⋅⋅⋅PdII contacts of 3.349 Å for 1 and 3.292 Å for 7. Density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) calculations were used to examine the electronic properties. Comparative studies of the [Pt(L)(C≡CPh)]+ analogs by 1H NMR spectroscopy shed insight on the intermolecular interactions of these PdII acetylide complexes. The strong Pd−Ccarbene bonds render 7 and its derivative sufficiently stable for investigation of photo‐cytotoxicity under cellular conditions.
Adsorption of 2‐Chlorophenol on the Surface of Silica‐ and Alumina‐Supported Iron Oxide: An FTIR and XPS Study
Authors: Mosallanejad Sara , Dlugogorski Bogdan Z. , Kennedy Eric M. , Stockenhuber Michael 
Published: October 2016

AbstractThe adsorption of 2‐chlorophenol (2‐CPh) on the surface of silica, alumina and silica‐ and alumina‐supported iron oxides was examined at 30 and 250 °C. The formation of a chlorophenolate carbanion/chlorophenoxy radical intermediate on the surface of silica and alumina surfaces is identified by using in situ FTIR spectroscopy. The IR spectra of 2‐CPh adsorbed on supported iron oxide at 250 °C highlight significant differences in the adsorption complex between 2‐CPh and the two supported iron oxides (on silica and alumina). Under conditions of the low coverage of 2‐CPh on the surface of these catalysts, FTIR spectroscopy was used to indicate that the adsorption of 2‐CPh on the surface of silica‐supported iron oxide commences with the formation of a chlorophenolate species, whereas 2‐CPh creates a surface formate species on alumina‐supported iron oxide. Moreover, the strong bonds of 2‐CPh and a high concentration of the carbonate species are evident on the alumina surfaces by using both FTIR and X‐ray photoelectron spectroscopy.
A Modular Approach to a Library of Semi‐Synthetic Fucosylated Chondroitin Sulfate Polysaccharides with Different Sulfation and Fucosylation Patterns
Authors: Laezza Antonio , Iadonisi Alfonso , Pirozzi Anna V. A. , Diana Paola , De Rosa Mario , Schiraldi Chiara , Parrilli Michelangelo , Bedini Emiliano 
Published: October 2016

AbstractFucosylated chondroitin sulfate (fCS)—a glycosaminoglycan (GAG) found in sea cucumbers—has recently attracted much attention owing to its biological properties. In particular, a low molecular mass fCS polysaccharide has very recently been suggested as a strong candidate for the development of an antithrombotic drug that would be safer and more effective than heparin. To avoid the use of animal sourced drugs, here we present the chemical transformation of a microbial sourced unsulfated chondroitin polysaccharide into a small library of fucosylated (and sulfated) derivatives thereof. To this aim, a modular approach based on the different combination of only five reactions was employed, with an almost unprecedented polysaccharide branching by O‐glycosylation as the key step. The library was differentiated for sulfation patterns and/or positions of the fucose branches, as confirmed by detailed 2D NMR spectroscopic analysis. These semi‐synthetic polysaccharides will allow a wider and more accurate structure–activity relationship study with respect to those reported in literature to date.
A Simple Approach to Enhance the Water Stability of a Metal‐Organic Framework
Authors: Shih Yung‐Han , Kuo Yu‐Ching , Lirio Stephen , Wang Kun‐Yun , Lin Chia‐Her , Huang Hsi‐Ya 
Published: October 2016

AbstractA facile method to improve the feasibility of water‐unstable metal–organic frameworks in an aqueous environment has been developed that involves imbedding in a polymer monolith. The effect of compartment type during polymerization plays a significant role in maintaining the crystalline structure and thermal stability of the MOFs, which was confirmed by powder X‐ray diffraction (PXRD) and thermogravimetric analysis (TGA), respectively. The MOF–polymer composite prepared in a narrow compartment (column, ID 0.8 mm) has better thermal and chemical stability than that prepared in a broad compartment (vial, ID 7 mm). The developed MOF–polymer composite was applied as an adsorbent in solid‐phase microextraction of nine non‐steroidal anti‐inflammatory drugs (NSAIDs) and could be used for extraction more than 30 times, demonstrating that the proposed approach has potential for industrial applications.
Synthesis of 1,2‐Dioxetanes as Thermochemiluminescent Labels for Ultrasensitive Bioassays: Rational Prediction of Olefin Photooxygenation Outcome by Using a Chemometric Approach
Authors: Andronico Luca A. , Quintavalla Arianna , Lombardo Marco , Mirasoli Mara , Guardigli Massimo , Trombini Claudio , Roda Aldo 
Published: October 2016

AbstractGreat interest in new thermochemiluminescent (TCL) molecules, for example, in bioanalytical assays, has prompted the design and synthesis of a small library of more than 30 olefins to be subjected to photooxygenation, with the aim of obtaining new 1,2‐dioxetane‐based TCL labels with optimized properties. Fluorine atoms on the acridan system remarkably stabilize 1,2‐dioxetanes when they are located in the 3‐ and/or 6‐position (4 h and 4 i). On the other hand, 2,7‐difluorinated acridan dioxetane (4 j) showed a significantly enhanced fluorescence quantum yield with respect to the unsubstituted dioxetane (4 a). Some of the synthesized olefins did not undergo singlet oxygen addition and a rationale was sought to ease the photooxygenation step, leading to the TCL dioxetanes. A chemometric approach has been adopted to exploit principal component analysis and linear discriminant analysis of the structural and electronic molecular descriptors obtained by DFT optimizations of olefins 3. This approach allows the steric and electronic parameters that govern dioxetane formation to be revealed.
Mechanistic Study of the Stereoselective Hydroxylation of [2‐2H1,3‐2H1]Butanes Catalyzed by Cytochrome P450 BM3 Variants
Authors: Yang Chung‐Ling , Lin Cheng‐Hung , Luo Wen‐I , Lee Tsu‐Lin , Ramu Ravirala , Ng Kok Yaoh , Tsai Yi‐Fang , Wei Guor‐Tzo , Yu Steve S.‐F. 
Published: October 2016

AbstractEngineered bacterial cytochrome P450s are noted for their ability in the oxidation of inert small alkanes. Cytochrome P450 BM3 L188P A328F (BM3 PF) and A74E L188P A328F (BM3 EPF) variants are able to efficiently oxidize n‐butane to 2‐butanol. Esterification of the 2‐butanol derived from this reaction mediated by the aforementioned two mutants gives diastereomeric excesses (de) of −56±1 and −52±1 %, respectively, with the preference for the oxidation occurring at the C−HS bond. When tailored (2R,3R)‐ and (2S,3S)‐[2‐2H1,3‐2H1]butane probes are employed as substrates for both variants, the obtained de values from (2R,3R)‐[2‐2H1,3‐2H1]butane are −93 and −92 % for BM3 PF and EPF, respectively; whereas the obtained de values from (2S,3S)‐[2‐2H1,3‐2H1]butane are 52 and 56 % in the BM3 PF and EPF systems, respectively. The kinetic isotope effects (KIEs) for the oxidation of (2R,3R)‐[2‐2H1,3‐2H1]butane are 7.3 and 7.8 in BM3 PF and EPF, respectively; whereas KIEs for (2S,3S)‐[2‐2H1,3‐2H1]butanes are 18 and 25 in BM3 PF and EPF, respectively. The discrepancy in KIEs obtained from the two substrates supports the two‐state reactivity (TSR) that is proposed for alkane oxidation in cytochrome P450 systems. Moreover, for the first time, experimental evidence for tunneling in the oxidation mediated by P450 is given through the oxidation of the C−HR bond in (2S,3S)‐[2‐2H1,3‐2H1]butane.
Rethinking Cysteine Protective Groups: S‐Alkylsulfonyl‐l‐Cysteines for Chemoselective Disulfide Formation
Authors: Schäfer Olga , Huesmann David , Muhl Christian , Barz Matthias 
Published: October 2016

AbstractThe ability to reversibly cross‐link proteins and peptides grants the amino acid cysteine its unique role in nature as well as in peptide chemistry. We report a novel class of S‐alkylsulfonyl‐l‐cysteines and N‐carboxy anhydrides (NCA) thereof for peptide synthesis. The S‐alkylsulfonyl group is stable against amines and thus enables its use under Fmoc chemistry conditions and the controlled polymerization of the corresponding NCAs yielding well‐defined homo‐ as well as block co‐polymers. Yet, thiols react immediately with the S‐alkylsulfonyl group forming asymmetric disulfides. Therefore, we introduce the first reactive cysteine derivative for efficient and chemoselective disulfide formation in synthetic polypeptides, thus bypassing additional protective group cleavage steps.
Modification of the Solution Behavior of Pd12L24 Metal–Organic Nanocages via PEGylation
Authors: Li Hui , Luo Jiancheng , Liu Tianbo 
Published: October 2016

AbstractThe dilute solutions behaviors of Pd12L24 metal–organic nanocage and its two PEGylated derivatives are explored. The basic nanocages can self‐assemble into vesicle‐like blackberry structures in polar solvents via counterion‐mediated attraction, whereas the PEGylated nanocages always stay as discrete ions under the same conditions, demonstrating that the PEGylation can improve the stability of the single nanocages. In addition, larger nanocages are found to self‐assemble in less polar solvents.
Does the S−H Bond Always Break after Adsorption of an Alkylthiol on Au(111)?
Authors: Guesmi Hazar , Luque Noelia B. , Santos Elizabeth , Tielens Frederik 
Published: October 2016

AbstractThe reaction mechanism for the formation of alkyl thiol self‐assembled monolayers (SAM) on Au(111) is still not clearly understood. Especially, the role of defects on the chemisorption process is an important goal to be addressed. In this work, different minimum energy reaction paths for R−SH dissociation of thiols (with long and short chains and dithiol species) adsorbed on gold adatom are calculated by using periodic density functional theory (DFT). Our results show a lower energy barrier for the RS−H bond dissociation when two thiols are adsorbed per adatom. In addition, in contrast with the formation of an adatom at the Au(111) which has been shown to depend on the alkyl chain length, the activation energy of the RS−H bond dissociation of thiols adsorbed on an adatom was shown to be independent of the alkyl chain length. The presented results and derived hypothesis support the model that thiols with long alkyl chain thiols mainly adsorb molecularly on Au(111), while for short alkyl chain thiols the S−H bond breaks. This result is explained by the fact that short‐chain thiols have lower interchain interaction energies and are thus more mobile compared to the long alkyl chain thiols on the Au(111) surface. This feature enables the short chains to reach adequate geometries, driven by entropy, which could deform the Au(111) more drastically and probably pull Au atoms out from surface to form adatoms. With these results a new mechanism is proposed for the formation of alkyl chain thiols on Au(111).