bluuebunny/crossref_metadata_2025_split huggingface dataset:
Human Chymotrypsinogen B Production with Pichiapastoris by Integrated Development of Fermentation and Downstream Processing. Part 1. Fermentation
Authors: Curvers Simon , Brixius Peter , Klauser Thomas , Thömmes Jörg , Weuster‐Botz Dirk , Takors Ralf , Wandrey Christian 
Published: July 2002

AbstractBased on an integrated approach of genetic engineering, fermentation process development, and downstream processing, a fermentative chymotrypsinogen B production process using recombinant Pichia pastorisis presented. Making use of the P. pastorisAOX1‐promotor, the demand for methanol as the single carbon source as well as an inducer of protein secretion enforced the use of an optimized feeding strategy by help of on‐line analysis and an advanced controller algorithm. By using an experimental system of six parallel sparged column bioreactors, proteolytic product degradation could be minimized while also optimizing starting conditions for the following downstream processing. This optimization of process conditions resulted in the production of authentic chymotrypsinogen at a final concentration level of 480 mg·L−1 in the whole broth and a biomass concentration of 150 g·L−1 cell dry weight, thus comprising a space‐time yield of 5.2 mg·L−1·h−1. Alternatively to the high cell density fermentation approach, a continuous fermentation process was developed to study the effects of reduced cell density toward oxygen demand, cooling energy, and biomass separation. This development led to a process with a highly increased space‐time yield of 25 mg·L−1·h−1 while reducing the cell dry weight concentration from 150 g·L−1 in fed‐batch to 65 g·L−1 in continuous cultivation.
Non‐equilibrium spatio‐temporal patterns in models of non‐linear plankton dynamics
Authors: MALCHOW HORST 
Published: July 2002

SUMMARY1. Mathematical models of biological population dynamics have not only to account for growth and interactions but also for spatial processes, like random or directed and joint or relative motion of species, as well as the variability of the environment.

2. Early attempts began with physico‐chemical diffusion, exponential growth and Lotka‐Volterra type interactions. These approaches have been continuously refined to more realistic descriptions of the development of natural populations.

3. The main aim of this paper is to give an extensive introduction to the subject and the bibliography. It then focusses on minimal models of the temporally and spatially continuous dynamics of freshwater and marine plankton as well as other microorganisms, which is best described by non‐linear reaction–diffusion and advection equations.

4. The fascinating variety of spatio‐temporal patterns in such systems and the governing mechanisms of their generation and further dynamics are introduced, making use of a model example of the nutrient–plankton–fish food chain. The formation of rotating spiral patterns is presented.
Development and validation of an audit instrument: the Prostate Outcomes Questionnaire
Authors: Lamping  , Rowe  , Black  , Lessof  
Published: July 2002

Objective To develop a short, patient‐based questionnaire for auditing the outcomes of treatment for benign prostatic hyperplasia (BPH) and to evaluate the acceptability, reliability and validity of the measure.Patients and methods Data from a long research questionnaire used in the Oxford/North West Thames Prostatectomy Study were analysed to identify the subset of items which contained the most scientifically sound indicators of outcome. Items were selected on the basis of standard psychometric analyses to develop a short questionnaire, the Prostate Outcomes Questionnaire (POQ), a 27‐item instrument covering urinary symptoms, complications after surgery, quality of life and patient satisfaction with outcome. The POQ was field tested for acceptability, reliability and validity in a postal survey of 125 men undergoing transurethral resection of the prostate for BPH from seven hospitals in south‐east England.Results The POQ was highly acceptable to patients, as indicated by a 95% response rate, the absence of ‘floor’ and ‘ceiling’ effects and a low proportion of missing data. It showed excellent internal consistency reliability (Cronbach’s α of 0.82–0.93 for the five summary scales and a mean item‐total correlation of 0.56) and test‐retest reliability (test‐retest correlations for items were 0.40–1.00, with a mean test‐retest correlation of 0.85, and for summary scales of 0.91–0.95). Construct validity was confirmed by: high intercorrelations between the five summary scales and the total score (0.88–0.95), with a pattern of intercorrelations among specific subscales that showed item‐convergent and discriminant validity; higher scores for patients who reported an improvement after surgery than in those who were not improved (P<0.001); the expected gradient of scores for patients reporting different levels of symptom distress (P<0.001); high correlations with the longer parent questionnaire (0.75–0.88); and low to moderate correlations with the Nottingham Health Profile and Activities of Daily Living scores (0.15–0.67), with the pattern of correlations providing evidence of scale convergent and discriminant validity. Correlations with age and social class were low, suggesting that responses were not biased by sociodemographic factors.Conclusion The POQ is a practical and scientifically sound patient‐based measure of outcome after treatment for BPH which can be used for routine audit. It takes <5 min to complete, is feasible for routine monitoring of large numbers of patients by postal survey, and is accompanied by a Users’ Manual which provides practical help in conducting a local patient survey, and a computer program for scoring data. Most importantly, the POQ has been shown scientifically to perform well, having met standard psychometric criteria for reliability and validity.
Parenteral polyoestradiol phosphate vs orchidectomy in the treatment of advanced prostatic cancer. Efficacy and cardiovascular complications: a 2‐year follow‐up report of a national, prospective prostatic cancer study
Authors: Mikkola  , Ruutu  , Aro  , Rannikko  , Salo on behalf of the Finnprostate Group  
Published: July 2002

Objective To evaluate the clinical efficacy and cardiovascular complications of orchidectomy or polyoestradiol phosphate (PEP) in the treatment of advanced prostatic cancer.Patients and methods In a prospective, randomized study 444 patients (mean age 73 years, range 45–91) with T3–4 M0 or T1–4 M1 prostatic cancer were treated either by orchidectomy (group 1, n=217) or parenteral PEP (group 2, n=227; 240 mg/month). The patients were examined at 3 and 6 months after start of the therapy and thereafter every 6 months; they were also assessed whenever they had symptoms indicating progression. Possible cardiovascular complications included myocardial infarction, cerebrovascular accident, pulmonary embolism and deep vein thrombosis.Results After a follow‐up of 2 years there was no statistically significant difference between the groups in progression‐free time; 65 of 217 (30%) patients in group 1 showed evidence of progression, including seven (3%) who died from prostate cancer. In group 2, 64 of 227 (28%) patients showed progression and eight (3.5%) died from prostatic cancer. There were 10 (5%) cardiovascular complications in patients in group 1, including five (2%) cardiovascular deaths; in group 2 there were 24 (11%) and 14 (6%), respectively. During the first year of treatment there were three (1.4%) cardiovascular complications in group 1 and 14 (6%) in group 2 (P<0.05), and during the second year, seven (4%) and 10 (6%), respectively.Conclusion Parenteral PEP (240 mg/month) seems to be as efficient as orchidectomy in inhibiting disease in patients with advanced prostatic cancer (T3–4 M0 and T1–4 M1). There were more cardiovascular complications in patients treated with PEP than after orchidectomy; the difference was statistically significant during the first year of treatment.
Correcting lens system for perimetry
Authors: Henson David B. , Earlam Richard A. 
Published: July 2002

SummaryA lens system to correct for both refractive error and perimeter test distance is frequently needed for accurate perimetry. Patients often lack appropriate near vision corrections and full aperture trial case lenses, when they are available, barely cover the central 30° and hence frequently produce lens rim artefacts. A special system of correction lenses has been developed for perimetry which overcomes these problems. This system is head mounted, being based upon the Essilor presbyopia demonstration set, and is suitable for use with most perimeters.
Shared care within the HES‐experience from the Walton diabetic eye screening service
Authors: Dengler‐Harles Maria , Laws Fiona , Clark David , Hancock Richard 
Published: July 2002

Hospital optometrists are involved in the care of diabetic patients in a variety of ways, e.g. performing screening as well as training, coordinating and acting in an advisory capacity in local schemes involving GOS optometrists. In response to local need and purchaser interest, an optometrically led diabetic eye screening service has been set up at Walton Hospital. All patients are referred from the Walton Hospital Diabetic Centre, screened by the hospital optometrists and either reviewed by the optometrists or referred to an ophthalmologist routinely for review or referred immediately if it is considered that laser treatment may be required.This paper reports on the protocols, implementation and first year of operation of the service. Patients referred to the clinic were those who had not had an eye examination within the last 12 months (excluding newly diagnosed insulin‐dependent patients) and all newly diagnosed non‐insulin dependent diabetics. An audit was performed over the first 3 months (n = 85). At the same visit, each patient was examined by an HES optometrist using a Volk lens with dilation, the patient was assessed by a consultant ophthalmologist with a specialty interest in diabetics and retinal photography was performed. The same consultant also assessed the slides. The mean age of the patients was 64 years (SD 12 years) and only 6.0% were frank type 1 insulin‐dependent patients.Laser treatment for retinopathy was required in 7.1% of patients and other treatable pathology was found in 9.4% of patients. When compared with the consultant's assessment, the optometrists' examination showed a sensitivity of 87.5% and specificity of 93.5% in the detection and appropriate referral of diabetic eye disease. Peripheral new vessels were missed in one patient due to the presence of lens opacities, and thus the patient was referred routinely instead of immediately. Using the photographic technique, a significant number of images were ungradeable due to poor quality, and the sensitivity was only 66.7%. The lower sensitivity resulted from the inability to detect macula oedema in the absence of hard exudates and peripheral proliferative retinopathy outside the field photographed. In addition, inadequate resolution confounded the detection of microaneurysms in non‐referrable cases. Over the following 9 months a further 182 patients were examined. Laser treatment for retinopathy was required in 6.6% of patients and other treatable pathology was found in 8.2% of patients.Additional funding to expand the service in 1995 has been successfully sought from the purchasers. The results and experiences from this study will be considered in relation to the HES optometrist working within a trust, the St Vincent's declaration and some economic aspects of diabetic healthcare.
Sagitally focusing scanning monochromator produces 0.4-mm focus (abstract)
Authors: Rosenbaum G. , Sullivan M. , Fischetti R. , Rock L. 
Published: July 2002

A sagitally focusing stage has been constructed for the double-crystal scanning monochromator on beam line X9-A at the NSLS which can be exchanged with the normally used flat crystal stage. The bending device located at 12.0 m from the source is designed to accept a beam up to 200-mm wide. The monochromator with bending stage can be scanned over Bragg angles from 10° to 71° corresponding to photon energies from 11.4 to 2.1 keV with Si-111 crystals. In conjunction with the vertically focusing mirror a point focus of 0.38 mm×0.18 mm [horizontal×vertical, full width at half maximum (FWHM) each] has been achieved at a focal length of 3.8 m (center of a four-circle diffractometer). Focused at the back of the experimental hutch (focal length=5.4 m) the focal size was 0.55 mm×0.30 mm. The measured horizontal width of the focus equals the calculated size of the demagnified source and is independent of the horizontal convergence used. The horizontal focus produced by the crystal is very clean: the full width at 1% of maximum is 1.5 mm and at 0.01% it is about 4 mm. The flux into the focus is 5×1011 photons/s at a photon energy of 7.4 keV and beam current of 200 mA.
The average flux density in the center of the focus (FWHM area) is 5×1011 photons/s/mm2. The preliminary crystal presently used has been made from a thin Si plate of 0.4-mm thickness, 80-mm width, and 75-mm length (in the direction of the beam). Steel ribs of 0.6-mm thickness have been glued at 3-mm pitch to the back of the crystal in order to stiffen the plate and reduce anticlastic bending.1 Plates have been glued to this crystal plate to extend the width to size the bending stage. The crystal was cut in 111 orientation with a 4° angle between the lattice planes and the crystal surface. The asymmetric cut was used to increase the angle of incidence and thus decrease the effect of the remaining anticlastic bending. The bending stage has a bending couple at both ends of the crystal in order to produce the desired curvature of the crystal. The bending couples can be adjusted to produce a conical shape as needed for the particular choice of focal length.2 Small piezotranslators push on the bending couples to remove small amounts of twist in the crystal introduced by alignment errors of the bending couples. All of the adjustment drives are outside of the monochromator tank and transmitted to the bending stage via linear feedthroughs and cables. A full description of this device and the crystal with glued ribs will be submitted shortly to this journal. This work was supported by Grant RR-01633, National Institutes of Health, Division of Research Resources.
On the quenching of helium 2 3S: Potential energy curves for, and nonadiabatic, relativistic, and radiative couplings between, the a 3Σ+u, A 1Σ+u, b 3Πg, B 1Πg, c 3Σ+g, and C 1Σ+g states of He2
Authors: Yarkony David R. 
Published: July 2002

This work considers the possible role of nonadiabatic effects in the collisional quenching of He(2 3S). The electronic structure aspects of a nonadiabatic-radiative decay mechanism are analyzed. In this mechanism the a 3Σ+u state is coupled by relativistic, rotational, and radiative interactions to the A 1Σ+u state which serves as a gateway to the X 1Σ+g (electronically quenched) state of He2 through the spin-allowed dipole-allowed bound–free transition A 1Σ+u →X 1Σ+g. State averaged MCSCF/second-order CI wave functions for the ground X 1Σ+g state, and the excited, a 3Σ+u, A 1Σ+u, b 3Πg, B 1Πg, c 3Σ+g, and C 1Σ+g states (referred to here as the primary space) of He2 were determined. Using these
wave functions all interstate matrix elements of the form 〈Ψ0(J)‖Ô‖Ψ0(I)〉 were determined for (i)Ô=ĤBP≡Ĥso+Ĥss where Ĥso and Ĥss are, respectively, the spin–orbit and dipolar spin–spin interactions in the Breit–Pauli approximation, (ii) Ô=L̂e, where L̂e is the total electronic orbital angular momentum operator, and (iii) Ô=μ̂ where μ̂ is the dipole moment operator. In the nonrotating molecule these interactions give rise to the spin-forbidden dipole-allowed radiative transitions (b 3Πg, c 3Σ+g) →A 1Σ+u. However a complete description of these radiative decay processes requires consideration of interactions originating outside the primary space. Thus in this work the spin-forbidden, dipole-allowed perpendicular, μ⊥ (J, A 1Σ+u0+),  J=c 3Σ+g1, b 3Πg1 and parallel, μ∥(b 3Πg0+, A 1Σ+u0+), transition moments were determined using quasidegenerate perturbation theory. The computed potential energy curves, coupling matrix elements, and dipole moments permit a fully quantum mechanical analysis of the nonadiabatic-radiative quenching mechanism. A preliminary phenomenological analysis of aspects of this process is provided.
Potential energy surfaces, quasiadiabatic channels, rovibrational spectra, and intramolecular dynamics of (HF)2 and its isotopomers from quantum Monte Carlo calculations
Authors: Quack Martin , Suhm Martin A. 
Published: July 2002

We report analytical representations of the six-dimensional potential energy hypersurface for (HF)2, the parameters of which are closely adjusted to low energy experimental properties such as hydrogen bond dissociation energy (D0=1062 cm−1 ) and vibrational–rotational spectra in the far and mid infrared. We present a detailed analysis of properties of the hypersurface in terms of its stationary points, harmonic normal mode amplitudes, and frequencies for the Cs minimum and C2h saddle point and effective Morse parameters and anharmonic overtone vibrational structure for the hydrogen bond and the HF stretching vibrations. The comparison between experimental data and the potential energy surface is carried out by means of accurate solutions of the rotational–vibrational Schrödinger equation with quantum Monte Carlo techniques, which include anharmonic interactions between all modes for the highly flexible dimer. Two extensions of the quantum Monte Carlo technique are presented, which are based on the clamped coordinate quasiadiabatic channel method and allow for the approximate calculation of excited rotational and vibrational levels.
Predictions include dissociation energies D0 for isotopomers (XF)2 with X=μ, D, T (D0=477; 1169; 1217 cm−1 ). Unusual anharmonic isotope effects predicted for the out-of-plane bending fundamental ν6 [378; 276; 295; and 358 cm−1 for (HF)2, (DF)2, (HFDF), (DFHF)] can be understood in simple terms. Centrifugal effects both for the high frequency a-axis rotation and low frequency c-axis rotation are accurately calculated for the vibrational ground state and some excited states, with a best equilibrium center of mass distance Req.ab=5.14a0 between the HF monomers. A very large anharmonic interaction constant x46≊−16 cm−1 is predicted for the hydrogen bond vibration ν4 and for out-of-plane bending ν6. This leads to assignment of our earlier experimental observation of a band at 383 cm−1 as ν6+ν4−ν4(K=1←0) at almost exactly the predicted position. The fundamental ν4 is predicted at 130±10 cm−1. A new, indirect assignment of our experimental data gives ν4≊125 cm−1. Monte Carlo calculations are presented for quasiadiabatic channels and transition states for hydrogen bond dissociation. We present a discussion of symmetry correlations for these channels and symmetry effects in predissociation by rotation, nuclear spin symmetry, and parity violation. Large effects from zero point energy on the three-dimensional quantum centrifugal barriers for rotational predissociation are found. On the basis of the new data, a much improved statistical mechanical estimate for the equilibrium 2HF=(HF)2 is obtained.
Probing picosecond processes with nanosecond lasers: Electronic and vibrational relaxation dynamics of heme proteins
Authors: Li P. , Sage J. T. , Champion P. M. 
Published: July 2002

We discuss the technique of resonance Raman saturation spectroscopy and present experimental results that probe relaxation processes in heme proteins following electronic excitation in the Soret band. The observable relaxation time scales are limited by the laser excitation rate kL rather than by the laser pulse width (∼10 ns). Analysis of the data using a theory that separates the electronic and vibrational relaxation leads to electronic ground state recovery times τ=6.4±2.0 ps for ferrocytochrome c, τ=4.8±1.5 ps for deoxymyoglobin, and τ=2.0±0.7 ps for deoxyhemoglobin. The Raman depolarization ratio is predicted to increase at high laser flux, due to the preparation of a partially oriented sample by photoselective excitation. Such effects are observed in heme systems and the relaxation times extracted from the depolarization analysis are in good agreement with those derived from measurements of Raman intensity saturation. Studies of the asymmetric broadening of the ν4 mode of cytochrome c at high laser flux reveal that the line shapes in the Stokes and anti-Stokes region are inequivalent.
Time-reversal symmetry dictates that this broadening is due to an underlying Raman band associated with an excited electronic state that is populated at high laser flux. Similar line broadening effects, observed in hemoglobin and myoglobin samples, are also shown to arise from Raman scattering of excited electronic states rather than Rabi broadening [Alden et al., J. Phys. Chem. 94, 85 (1990)] or anharmonic coupling to vibrationally hot low frequency modes [Petrich et al., Biochemistry 26, 7914 (1987)]. Quantitative analysis of Stokes and anti-Stokes Raman scattering determines the heme vibrational temperature as a function of laser flux and leads to a description of the Raman intensities that differs significantly from that of Lingle et al. [J. Phys. Chem. 95, 9320 (1991)], which ignores electronic saturation effects and is based on the scattering properties of a two-level system. For cytochrome c, we use a simple thermal transport model to extract a value for the product of the heme area and the coefficient of surface heat transfer between the heme and the surrounding protein. This leads to a ∼4 ps time constant for the short-time exponential phase of heme cooling.
Photodissociation of NH2: Two-dimensional potential energy surfaces for the dissociation into NH and H
Authors: Vetter R. , Zülicke L. , Koch A. , van Dishoeck E. F. , Peyerimhoff S. D. 
Published: July 2002

Extensive multireference configuration interaction calculations were carried out in order to obtain complete two-dimensional (2D) potential energy surfaces for the amidogen (NH2) radical as functions of both N–H bond lengths keeping the bond angle fixed at its experimental ground state equilibrium value. The eight lowest-lying states (four of each symmetry, A′ and A″) were treated mainly for the purpose of using these surfaces in subsequent studies of the photodissociation dynamics. In analogy with the neighboring dihydrides CH2 and H2O the photodissociation of NH2 into NH+H (hydrogen abstraction) takes place preferentially after excitation of the first two Rydberg s states (3 2A′/2 2A1 and 2 2A″/2 2B1) found closely together at about 7.6 eV. The transition dipole moments connecting the ground state with these two states are large (0.44 a.u. and 0.66 a.u.) in the Franck–Condon region, but the behavior of the potentials in the dissociation channel is quite different. The 3 2A′/2 2A1 state is weakly repulsive whereas the 2 2A″/2 2B1 state is strongly repulsive. This will result in differences in the dissociation dynamics for the two states.
The next higher state which should play a role in the NH2 photodissociation is the 4 2A″/3 2B1 Rydberg s state at 9.4 eV, because of its large transition dipole moment with the ground state (0.36 a.u.). Close to this state, many Rydberg p states were found. Due to the high density of states in the region above 9.0 eV, interactions of these states are expected and should lead to complicated dissociation dynamics. Contrary to CH2, the two low-lying valence states for NH2 are found at lower energies [2.2 eV (1 2A1) and 6.5 eV (1 2B2)], well separated from the first members of the Rydberg series. These states are less important for the photodissociation of NH2, compared with CH2, because the first state is bound and the transition to the other is dipole-forbidden in C2v symmetry. For H2O, the valence states are missing.