Ultra-Wideband High-Efficiency Solar Absorber and Thermal Emitter Based on Semiconductor InAs Microstructures.

Since the use of chemical fuels is permanently damaging the environment, the need for new energy sources is urgent for mankind. Given that solar energy is a clean and sustainable energy source, this study investigates and proposes a six-layer composite ultra-wideband high-efficiency solar absorber with an annular microstructure. It achieves this by using a combination of the properties of metamaterials and the quantum confinement effects of semiconductor materials. The substrate is W-Ti-Al2O3, and the microstructure is an annular InAs-square InAs film-Ti film combination. We used Lumerical Solutions' FDTD solution program to simulate the absorber and calculate the model's absorption, field distribution, and thermal radiation efficiency (when it is used as a thermal emitter), and further explored the physical mechanism of the model's ultra-broadband absorption. Our model has an average absorption of 95.80% in the 283-3615 nm band, 95.66% in the 280-4000 nm band, and a weighted average absorption efficiency of 95.78% under AM1.5 illumination. Meanwhile, the reflectance of the model in the 5586-20,000 nm band is all higher than 80%, with an average reflectance of 94.52%, which has a good thermal infrared suppression performance. It is 95.42% under thermal radiation at 1000 K. It has outstanding performance when employed as a thermal emitter as well. Additionally, simulation results show that the absorber has good polarization and incidence angle insensitivity. The model may be applied to photodetection, thermophotovoltaics, bio-detection, imaging, thermal ion emission, and solar water evaporation for water purification.

Effects of Doctor-Nurse Integrated Care Combined with Health Education on Hip Function, Incidence of Deep Vein Thrombosis and Nursing Satisfaction in Patients with Hip Arthroplasty.

Objective: The aim of our study was to investigate the effect of implementing doctor-nurse integrated care combined with health education on joint function recovery, incidence of deep vein thrombosis, coping style, self-efficacy and nursing care satisfaction in patients undergoing hip arthroplasty. Methods: This is a clinical prospective randomized study with 83 patients who underwent total hip arthroplasty in the orthopedic department of our hospital between May 2019 and May 2022 selected by a random number table. They were divided into 2 groups: the observation group (n = 42) and the control group (n = 41). Both groups used the integrated care model during the perioperative period. Patients in the observation group were also given health education and the differences in the incidence of lower limb deep vein thrombosis, hip function score, coping style, self-efficacy and nursing satisfaction in the 2 groups were compared. Results: Preoperatively, there was no statistically significant difference between the Harris Hip Score (HHS) in the observation group and the control group (P > .05); the HHS in the observation group was higher than in the control group at 2 weeks and 1 month after surgery, and the difference was statistically significant (P < .05); there was no statistically significant difference between the confrontation, avoidance and submission scores of the 2 groups the first day after surgery (P > .05); while the confrontation and avoidance scores in the observation group were higher than in the control group at 2 weeks after surgery, with statistical significance. There was no statistically significant difference between role function, emotional control, symptom management and nurse-patient communication scores in the 2 groups the first day after surgery (P > .05); while the emotional control, symptom management and nurse-patient communication scores in the observation group were higher than in the control group at 2 weeks after surgery, and the differences were statistically significant (P < .05). Overall patient satisfaction in the observation group was better than in the control group, and the difference was statistically significant (P < .05). There was no statistically significant difference in the incidence of lower limb deep vein thrombosis in the 2 groups (P > .05). Conclusion: The implementation of an integrated care model combined with health education in patients with hip arthroplasty is beneficial to improving self-efficacy, patient trauma coping style, promoting early hip function recovery and improving nursing care satisfaction.

Hemodynamic signal changes and functional connectivity in acute stroke patients with dysphagia during volitional swallowing: a pilot study.

BACKGROUND: Dysphagia is one of the major post-stroke complications, understanding post-stroke changes in cortical excitability and promoting early remodeling of swallowing-related cortical areas to enable accurate treatment is essential for recovery of patients. OBJECTIVES: We aimed to investigate hemodynamic signal changes and functional connectivity in acute stroke patients with dysphagia compared to age-matched healthy participants in response to volitional swallowing using functional near-infrared spectroscopy (fNIRS) in this pilot study. METHODS: Patients with first-ever post-stroke dysphagia having an onset of 1-4 weeks and age-matched right-handed healthy subjects were recruited in our study. fNIRS with 47 channels was utilized to detect the oxyhemoglobin (HbO2 ) and reduced hemoglobin (HbR) concentration changes when volitional swallowing. Cohort analysis was performed by a one-sample t-test. Two-sample t-test was utilized to compare the difference in cortical activation between patients with post-stroke dysphagia and healthy subjects. Furthermore, the relative changes in the concentration of the HbO2 throughout the experimental procedure were extracted for the functional connectivity analysis. The Pearson correlation coefficients of the HbO2 concentration of each channel were analyzed on a time series, and then a Fisher Z transformation was then performed, and the transformed values were defined as the functional connection strengths between the channels. RESULTS: In this present study, a total of nine patients with acute post-stroke dysphagia were enrolled in the patient group and nine age-matched healthy participants in the healthy control group. Our study observed that the extensive regions of the cerebral cortex were activated in the healthy control group, while the activation area of patient group's cortical regions was quite limited. The mean functional connectivity strength of participants was 0.485 ± 0.105 in the healthy control group, and 0.252 ± 0.146 in the patient group, with a significant difference between the two groups (p = 0.001). CONCLUSION: Compared to the healthy individuals, cerebral cortex regions of acute stroke patients were only marginally activated during volitional swallowing task, and the average functional connectivity strength of cortical network in patients was relatively weaker.

A novel chromosome 2q24.3-q32.1 microdeletion in a fetus with multiple malformations.

BACKGROUND: Terminal or interstitial deletion of chromosome 2q is rarely reported but clinically significant, which can result in developmental malformations and psychomotor retardation in humans. In the present study, we analyzed this deletion to comprehensively clarify the relationship between phenotype and microdeletion region. METHODS: We collected clinical records of the fetus and summarized patient symptoms. Subsequently, genomic DNA was extracted from fetal tissue or peripheral blood collected from parents. In addition, whole-exome sequencing (WES) and copy number variation sequencing (CNV-seq) were performed. RESULTS: The fetus presented a previously unreported interstitial deletion of 2q24.3-q32.1. WES and CNV-seq revealed a de novo 18.46 Mb deletion at 2q24.3-q32.1, a region involving 94 protein-coding genes, including HOXD13, MAP3K20, DLX1, DLX2, SCN2A, and SCN1A. The fetus had upper and lower limb malformations, including camptodactyly and syndactyly, along with congenital cardiac defects. CONCLUSION: Herein, we report a fetus with a novel microdeletion of chromosome 2q24.3-q32.1, likely a heterozygous pathogenic variant. Haploinsufficiency of HOXD13 might be related to limb deformity in the fetus.

Compact hybrid plasmonic slot waveguide sensor with a giant enhancement factor for surface-enhanced Raman scattering application.

In this paper, a surface-enhanced Raman scattering (SERS) sensor with a giant field enhancement factor based on the coupling of surface plasmon polaritons (SPPs) is designed and studied theoretically. The proposed sensor adopts a metal-dielectric layered hybrid slot waveguide structure, combining thin metal (gold) layers and silicon nitride strip waveguides. Unlike other similar sensors, the silicon nitride waveguide structure does not serve as an excitation signal channel, conventionally loaded with the guided modes, but as an auxiliary layer, making it easier to concentrate the light field in the slot. Therefore, the sensor has a higher enhancement factor compared to the pure metal or dielectric slot structure. The results exhibit that we can obtain a maximum enhancement factor exceeding 10^6 under the compact configuration of 510 × 300 × 225nm^3 at the wavelength of 785 nm. By analyzing the dependence of the sensor performance on the structural parameters, we show that the structure of such sensor can directly be applied to SERS spectroscopic analysis as well as integrated with micro-and nano-photonic platform to perform on-chip detection system.

The performance of surface enhanced Raman scattering and spatial resolution with triangular plate dimer from ultra-ultraviolet to near-infrared range.

The theoretical research on surface enhanced Raman spectroscopy (SERS) of triangular plate dimer (TPD) is of great significance for the design of experimental substrates. In this paper, the SERS properties of the TPD with Au, Ag, Al and Cu have been theoretical investigated in the ultra-ultraviolet, visible and near-infrared region. The influence of the TPD configuration, including the tip radian, the dimer distance and the aspect ratio on the electric field, Raman enhancement and spatial resolution are studied by the finite element method. The results show that there are dipole resonance band and quadruple dipole resonance band in the surface plasmon resonance band of TPD. The tip radian and dimer distance play the dominant role in the electric field enhancement, and the aspect ratio can be mainly used to tune the peak position of the electric field. The smaller tip radian and dimer distance will produce a stronger localized electric field and a small red shift of the peak position. Adjusting the aspect ratio can tune the position of electric field peak from ultraviolet (UV) to near-infrared without changing the peak value of the electric field significantly, especially for Al TPD. The maximum Raman enhancement factor of Au, Ag and Cu all reach 11 orders of magnitude, and 9 orders of magnitude for Al. The spatial resolution changes linearly with the gap distance, and the maximum spatial distributions of Au, Ag, Al and Cu achieve 0.65 nm, 0.67 nm, 0.69 nm and 0.70 nm with the dimer distance of 1 nm. Our results not only provide a better theoretical guidance for the optimization of TPD substrates in the SERS experiment, but also extend its application scope from ultra-UV to near-infrared range.

Study on surface enhanced Raman scattering of Au and Au@Al2O3 spherical dimers based on 3D finite element method.

In this paper, the surface enhanced Raman scattering (SERS) characteristics of Au and Au@Al2O3 nanoparticle dimers were calculated and analyzed by using finite element method (3D-FEM). Firstly, the electric field enhancement factors of Au nanoparticles at the dimer gap were optimized from three aspects: the incident angle of the incident light, the radius of nanoparticle and the distance of the dimer. Then, aluminum oxide is wrapped on the Au dimer. What is different from the previous simulation is that Al2O3 shell and Au core are regarded as a whole and the total radius of Au@Al2O3 dimer is controlled to remain unchanged. By comparing the distance of Au nucleus between Au and Au@Al2O3 dimer, it is found that the electric field enhancement factor of Au@Al2O3 dimer is much greater than that of Au dimer with the increase of Al2O3 thickness. The peak of electric field of Au@Al2O3 dimer moves towards the middle of the resonance peak of the two materials, and it is more concentrated than that of the Au dimer. The maximum electric field enhancement factor 583 is reached at the shell thickness of 1 nm. Our results provide a theoretical reference for the design of SERS substrate and the extension of the research scope.

Threshold conditions of electric field enhancement and energy confinement in the low-index core of nanoscale waveguides.

Threshold conditions to realize electric field enhancement and energy confinement in the low-refractive-index core of nanoscale waveguides are studied by solving the field function. When the incident lightwave meets the relation of special thresholds, we observe the enhanced electric field and a concentrated light energy in the core. The electric field enhancement and the confined light power are highly dependent on the light wavelength. When the core width is 30 nm, for a wavelength of 1.55 µm, we achieve a power confinement factor above 40%. As the basis for a growing number of potential applications, the threshold conditions discovered in this work will find significant applications in many fields, such as optical sensors and optical communication components.

Selective adsorption of PHC and regeneration of washing effluents by modified diatomite.

Selective removal of petroleum hydrocarbons (PHCs) from soil washing effluents is the key to the surfactant-enhanced soil washing technology. In this study, the diatomite was modified by nonionic surfactant TX-100 and applied in the selective adsorption of PHCs in the soil washing effluents. The modified diatomites were characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray diffraction, N2 adsorption/desorption and X-ray photoelectron spectroscopy respectively. The adsorption process followed the pseudo-second-order model and the adsorption isotherms indicated that the interaction between PHCs and modified diatomite was monolayer adsorption. The important operating factors such as TX-100 dosage, adsorbent dosage, time and temperature were optimized. With the participation of the low-cost adsorbent TX3-Db with high adsorption capacity, the recovery efficiency of the washing effluents was still up to 78.9% after three cycles. A selective adsorption mechanism, based on steric hindrance and electrostatic repulsion, was proposed to explain the removal of PHCs from washing effluents.

Iridium(III)-Catalyzed C-H Amidation/Cyclization of NH-Sulfoximines with N-Alkoxyamides: Formation of Thiadiazine 1-Oxides.

The first example of Ir(III)-catalyzed C-H activation/cyclization with N-alkoxyamides as amidation reagents to simultaneously form functionalized thiadiazine 1-oxide derivatives was developed. This one-pot cascade protocol tolerated diverse functional groups and readily constructed various heterocyclic frameworks in moderate to good yield.

Specific Synthesis of 3H-Indole Derivatives via Rh(III)-Catalyzed Cascade Annulation between N-Phenylbenzimidamides and Pyridotriazoles.

An efficient synthetic method to construct 3H-indole derivatives has been successfully developed involving rhodium-catalyzed highly selective C-H bond activation of N-phenylbenzimidamides and subsequent couplings with pyridotriazoles. This cascade approach features excellent chemoselectivity and unique of products containing quaternary carbon center with the pyridyl moiety.

Preparation of a Novel SERS Platform Based on Mantis Wing with High-Density and Multi-Level "Hot Spots".

The recent development of SERS substrates based on irregular nanostructures for directly molecule recognition has aroused increasing attention. By combining the irregular flake-like nanostructures of mantis wings, high SERS performance of Ag nanofilms, and the chemical stability of Au nanoparticles (NPs), an ultra-sensitive and flexible SERS substrate based on Au NPs functionalized Ag nanofilms-mantis wings (Au-Ag-M.w.) hybrid system is successfully fabricated. When 4-aminothiophenol is selected as the probe molecule, the limit of detection (LOD) is as low as 10-13 M and the relative standard deviation (RSD) is lower than 7.15%. This novel SERS platform exhibits high SERS performance in terms of sensitivity, reproducibility and practicability mainly because there are high-density and multi-level "hot spots" in the appropriate nanogaps. Meanwhile, it also systematically compares the differences of the SERS performance of Cu and Ag decorated M.w. hybrids and how these differences can alter their response. Moreover, the proposed substrate is employed to rapidly detect the pesticide residues on apple peels and the LOD for cypermethrin is estimated at 10-10 mg/mL. Therefore, this novel SERS substrate has great potential in rapid sampling of pesticide residues on real samples and expands the investigation to other natural materials for fabricating various SERS platforms.

Biomimetic synthesis of Ag-coated glasswing butterfly arrays as ultra-sensitive SERS substrates for efficient trace detection of pesticides.

In this work, we report a biomimetic synthesis route of 3D Ag nanofilm/glasswing butterfly wing hybrids (Ag-G.b.) by magnetron sputtering technology. The 3D surface-enhanced Raman scattering (SERS) substrate is fabricated from an original chitin-based nanostructure, which serves as a bio-scaffold for Ag nanofilms to be coated on. The novel crisscrossing plate-like nanostructures of 3D Ag-G.b. nanohybrids with thick Ag nanofilms provide a substantial contribution to SERS enhancement. Measuring the SERS performance with crystal violet (CV), the Ag-G.b. nanohybrids with the sputtering time of 20 min (Ag-G.b.-20) shows the highest enhancement performance with an enhancement factor (EF) of up to 2.96 × 107. The limit of detection (LOD) for CV was as low as 10-11 M, demonstrating the ultrahigh sensitivity of the Ag-G.b.-20 substrate. In addition, the Ag-G.b.-20 substrate has an outstanding reproducibility across the entire area with the maximum value of relative standard deviation (RSD) of less than 10.78%. The nanohybrids also exhibit a long-term stability regarding Raman enhancement, as suggested by a duration stability test over a period of 60 days. Importantly, the high-performance Ag-G.b.-20 substrate is further applied as an ultra-sensitive SERS platform for the trace detection of acephate, showing its great potential application in biochemical sensing and food security.

In silico simulation of liver crack detection using ultrasonic shear wave imaging.

BACKGROUND: Liver trauma is an important source of morbidity and mortality worldwide. A timely detection and precise evaluation of traumatic liver injury and the bleeding site is necessary. There is a need to develop better imaging modalities of hepatic injuries to increase the sensitivity of ultrasonic imaging techniques for sites of hemorrhage caused by cracks. In this study, we conduct an in silico simulation of liver crack detection and delineation using an ultrasonic shear wave imaging (USWI) based method. METHODS: We simulate the generation and propagation of the shear wave in a liver tissue medium having a crack using COMSOL. Ultrasound radio frequency (RF) signal synthesis and the two-dimensional speckle tracking algorithm are applied to simulate USWI in a medium with randomly distributed scatterers. Crack detection is performed using the directional filter and the edge detection algorithm rather than the conventional inversion algorithm. Cracks with varied sizes and locations are studied with our method and the crack localization results are compared with the given crack. RESULTS: Our pilot simulation study shows that, by using USWI combined with a directional filter cum edge detection technique, the near-end edge of the crack can be detected in all the three cracks that we studied. The detection errors are within 5%. For a crack of 1.6 mm thickness, little shear wave can pass through it and the far-end edge of the crack cannot be detected. The detected crack lengths using USWI are all slightly shorter than the actual crack length. The robustness of our method in detecting a straight crack, a curved crack and a subtle crack of 0.5 mm thickness is demonstrated. CONCLUSIONS: In this paper, we simulate the use of a USWI based method for the detection and delineation of the crack in liver. The in silico simulation helps to improve understanding and interpretation of USWI measurements in a physical scattered liver medium with a crack. This pilot study provides a basis for improved insights in future crack detection studies in a tissue phantom or liver.

Au-Decorated Dragonfly Wing Bioscaffold Arrays as Flexible Surface-Enhanced Raman Scattering (SERS) Substrate for Simultaneous Determination of Pesticide Residues.

Rapid sampling and multicomponent analysis are vital in pesticide residue detection. In this work, we proposed a SERS platform to detect three kinds of pesticides on apple peels simultaneously by a straightforward “press and peel off” method. The flexible Au/dragonfly wing (Au/DW) substrate was obtained from sputtering Au nanoislands on DW bioscaffold arrays by a simple direct current (DC) magnetron sputtering system. The high-performance substrate exhibited a low limit of detection (LOD) to 4-aminothiophenol (4-ATP) (10−9 M), outstanding reproducibility (less than 12.15%), good stability and suitability in multifold pesticide residues detection. Considering its excellent sample collection efficiency, the Au/DW substrate was employed to solve critical pesticide residue problems for detection of acephate (APT), cypermethrin (CPT), tsumacide (MTMC) and their multiple components on apple peels. The results show that the LOD was 10−3 ng/cm² for APT obtained on the apple surface with a calculation equation of y = 0.26x + 6.68 and a determination coefficient (R²) of 0.970. Additionally, the LOD values for CPT and MTMC were 10−3 ng/cm² and 10−4 ng/cm², respectively. The finding in this work may provide a promising biomimetic SERS platform for on-spot detection of other organic pollutants in the food industry and inenvironmental protection.

The effect of nonlocal dielectric response on the surface-enhanced Raman and fluorescence spectra of molecular systems.

We present a theoretical study on the influence of the nonlocal dielectric response on surface-enhanced resonant Raman scattering (SERRS) and fluorescence (SEF) spectra of a model molecule confined in the center of a Ag nanoparticle (NP) dimer. In the simulations, the nonlocal dielectric response caused by the electron-hole pair generation in Ag NPs was computed with the d-parameter theory, and the scattering spectra of a model molecule representing the commonly used fluorescent dye rhodamine 6G (R6G) were obtained by density-matrix calculations. The influence of the separation between Ag NP dimers on the damping rate and scattering spectra with and without the nonlocal response were systematically analyzed. The results show that the nonlocal dielectric response is very sensitive to the gap distance of the NP dimers, and it undergoes much faster decay with the increase of the separation than the radiative and energy transfer rates. The Raman and fluorescence peaks as simulated with the nonlocal dielectric response are relative weaker than that without the nonlocal effect for smaller NP separations because the extra decay rates of the nonlocal effect could reduce both the population of the excited state and the interband coherence between the ground and excited states. Our result also indicates that the nonlocal effect is more prominent on the SEF process than the SERRS process.

Density-matrix evaluation of the enhancement to resonant Raman scattering and fluorescence of molecules confined in metallic nanoparticle dimers.

In the present work we study the surface-enhanced resonant Raman scattering (SERRS) and fluorescence (SEF) spectra of a general model molecule confined in metallic dimers consisting of Ag, Au and hybrid AuAg nanoparticles (NPs). The electromagnetic (EM) enhancement factors were simulated by the generalized Mie scatting method and the scattering cross section of the molecules were obtained by density-matrix calculations. The influence of the size of the NPs and the separation between the dimer on the Raman scattering and fluorescence were systematically studied and analyzed in detail. It was found that the SERRS mainly related to EM enhancement and the SEF depended on the competition between EM enhancement and quantum yield, both of which could be controlled by tuning the radius and separation of the metallic dimers. The optimal radius of the NPs for SERRS were found to be around 30 nm for AgNPs, 40 nm for AuNPs and 50 nm for hybrid AuAgNPs. The strongest Raman enhancement as predicted by the theoretical simulations were 6.2 × 1010, 1.5 × 107 and 5.2 × 108 for the three types of structures, respectively. These results could offer valuable information for the design of metallic substrates for surface enhanced Raman and fluorescence measurements.

The prevalence and specific characteristics of hospitalised pressure ulcer patients: A multicentre cross-sectional study.

OBJECTIVE: To ascertain the pressure ulcer prevalence in secondary and tertiary general hospitals in different areas of Guangdong Province in China and explore the possible risk factors that are related to pressure ulcers. BACKGROUND: Few multicentre studies have been conducted on pressure ulcer prevalence in Chinese hospitals. DESIGN: A cross-sectional study design was used. METHODS: Data from a total of 25,264 patients were included in the analysis at 25 hospitals in China. The investigators were divided into two groups. The investigators in group 1 examined the patients' skin. When a pressure ulcer was found, a pressure ulcer assessment form was completed. The investigators in group 2 provided guidance to the nurses, who assessed all patients and completed another questionnaire. A multivariate logistic regression analysis was used to analyse the relationship between the possible risk factors and pressure ulcer. RESULTS: The overall prevalence rate of pressure ulcers in the 25 hospitals ranged from 0%-3.49%, with a mean of 1.26%. The most common stage of the pressure ulcers was stage II (41.4%); most common anatomical locations were sacrum (39.5%) and the feet (16.4%). Braden score (p < .001), expected length of stay (p < .001), incontinence (p < .001), care group (p = .011), hospital location (p < .001), type of hospitals (p = .004), ages of patients (p < .001) were associations of pressure ulcers from the multivariate logistic regression analysis. CONCLUSIONS: The overall prevalence rate of pressure ulcers in Chinese hospitals was lower than that reported in previous investigations. Specific characteristics of pressure ulcer patients were as follows: low Braden score, longer expected length of stay, double incontinence, an ICU and a medical ward, hospital location in the Pearl River Delta, a university hospital and an older patient. RELEVANCE TO CLINICAL PRACTICE: The survey could make managers know their prevalence level of pressure ulcers and provide priorities for clinical nurses.

Association of HLA-DRB1, HLA-DQB1 Polymorphisms with HPV 16 E6 Variants among Young Cervical Cancer Patients in China.

Potential correlation of human papillomavirus (HPV) 16 E6 variants and human leukocyte antigen (HLA) class II polymorphisms has been suggested in patients with cervical cancer, so far little information is available about the possible interaction between E6 variants and HLA class II variability during the obviously accelerated progression to cervical cancer in young women. In this study, we aimed to explore the association between the HPV16 E6 variants and HLA-DRB1, DQB1 alleles in a Chinese young cervical cancer population. The HLA-DRB1, HLA-DQB1 polymophisms were genotyped by low-resolution polymerase chain reaction (PCR) with sequence-specific primer. HPV16 E6 DNA was tested by Sanger fluorescent dye dideoxy-termination technique. The difference of DRB1, DQB1 polymorphisms between young cervical cancer patients (≤35ys, n=61) and older ones (>35ys, n=85) and the association with E6 variants were analyzed. Results showed that the distribution pattern of HLA-DRB1, DQB1 alleles was different between young cervical cancer patients and older ones. The allele frequency of DQB1*0501 in young patients was significantly lower than older ones (6.6% vs. 23.5%, p<0.05). The HPV16 E6 A4 lineage was the exclusive type observed in young patients, and its prevalence was significantly higher than that of older cases (82.86% vs.41.94%, p<0.05). DRB1*03 was not found in young patients positive for the HPV16 E6 A4 lineage, whereas it was observed in 19.2 % older patients with A4 positive(Pc<0.05). In conclusion, specific association between certain HPV16 E6 variant and genetic polymorphisms of HLA may play a role during the progression of early onset cervical cancer in young patients. Certain HLA-DRB1 and HLA-DQB1 alleles may be related to the A4 lineage among young cervical cancer patients, which was the unique HPV16 E6 variant found in Chinese young patients. Our finding may provide an insight into the pathogenic factors that associated with cervical cancer in young women.

Domain Motions and Functionally-Key Residues of L-Alanine Dehydrogenase Revealed by an Elastic Network Model.

Mycobacterium tuberculosis L-alanine dehydrogenase (L-MtAlaDH) plays an important role in catalyzing L-alanine to ammonia and pyruvate, which has been considered to be a potential target for tuberculosis treatment. In the present work, the functional domain motions encoded in the structure of L-MtAlaDH were investigated by using the Gaussian network model (GNM) and the anisotropy network model (ANM). The slowest modes for the open-apo and closed-holo structures of the enzyme show that the domain motions have a common hinge axis centered in residues Met133 and Met301. Accompanying the conformational transition, both the 1,4-dihydronicotinamide adenine dinucleotide (NAD)-binding domain (NBD) and the substrate-binding domain (SBD) move in a highly coupled way. The first three slowest modes of ANM exhibit the open-closed, rotation and twist motions of L-MtAlaDH, respectively. The calculation of the fast modes reveals the residues responsible for the stability of the protein, and some of them are involved in the interaction with the ligand. Then, the functionally-important residues relevant to the binding of the ligand were identified by using a thermodynamic method. Our computational results are consistent with the experimental data, which will help us to understand the physical mechanism for the function of L-MtAlaDH.